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2-(4-Piperidinyl)-1H-benzimidazole

2-(4-Piperidinyl)-1H-benzimidazole structure

CAS No:
38385-95-4
Formula:
C12H15N3
Chemical Name:
2-(4-Piperidinyl)-1H-benzimidazole
Synonyms:
1H-Benzimidazole,2-(4-piperidinyl)-;2-(4-Piperidinyl)-1H-benzimidazole;4-(Benzimidazol-2-yl)piperidine;2-Piperidin-4-yl-1H-benzimidazole;2-(Piperidin-4-yl)benzimidazole;2-(4-Piperidyl)-1H-benzimidazole;2-(Piperidin-4-yl)-1H-benzo[d]imidazole;2-(Piperidin-4-yl)-1H-1,3-benzodiazole
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Pharmaceutical Intermediates > Bulk Drug Intermediates

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2-(4-Piperidinyl)-1H-benzimidazole Basic Attributes

Molecular Weight：

201.27

Exact Mass：

201.27

EC Number：

609-547-5

DSSTox ID：

DTXSID90351977

HScode：

2933990090

Characteristics

PSA：

40.71000

XLogP3：

2.35870

Density：

1.167±0.06 g/cm3

Melting Point：

230 °C (decomp) @ Solvent: Water

Boiling Point：

441.3±38.0 °C(Predicted)

Flash Point：

220.7ºC

Refractive Index：

1.628

PKA：

11.83±0.10

Safety Information

Hazard category：

IRRITANT

Marks：

GHS Classification：

|Warning|H302 (66.67%): Harmful if swallowed [Warning Acute toxicity, oral]|P201, P202, P261, P264, P270, P271, P272, P273, P280, P281, P301+P312, P302+P352, P304+P340, P305+P351+P338, P308+P313, P312, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 7 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:201.27
XLogP3:1.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:201.126597491
Monoisotopic Mass:201.126597491
Topological Polar Surface Area:40.7
Heavy Atom Count:15
Complexity:213
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-(4-Piperidinyl)-1H-benzimidazole

Basic Attributes
Characteristics
Safety Information
Computed Properties
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