N-pentyl-1H-benzimidazol-2-amine;hydrochloride

C12H18ClN3 — CID 174826614

IUPACN-pentyl-1H-benzimidazol-2-amine;hydrochloride
SMILESCCCCCNc1nc2ccccc2[nH]1.Cl
InChIInChI=1S/C12H17N3.ClH/c1-2-3-6-9-13-12-14-10-7-4-5-8-11(10)15-12;/h4-5,7-8H,2-3,6,9H2,1H3,(H2,13,14,15);1H
InChIKeyJPGJXXVGCJUSGY-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.59
Rot. Bonds5

About N-pentyl-1H-benzimidazol-2-amine;hydrochloride

N-pentyl-1H-benzimidazol-2-amine;hydrochloride (PubChem CID 174826614) has the molecular formula C12H18ClN3 and a molecular weight of 239.75 g/mol. Its IUPAC name is N-pentyl-1H-benzimidazol-2-amine;hydrochloride.

Molecular Properties

Compound NameN-pentyl-1H-benzimidazol-2-amine;hydrochloride
PubChem CID174826614
Molecular FormulaC12H18ClN3
Molecular Weight239.75 g/mol
Exact Mass239.12
IUPAC NameN-pentyl-1H-benzimidazol-2-amine;hydrochloride
SMILESCCCCCNc1nc2ccccc2[nH]1.Cl
InChIInChI=1S/C12H17N3.ClH/c1-2-3-6-9-13-12-14-10-7-4-5-8-11(10)15-12;/h4-5,7-8H,2-3,6,9H2,1H3,(H2,13,14,15);1H
InChIKeyJPGJXXVGCJUSGY-UHFFFAOYSA-N
XLogP3.59
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethane;N-propyl-1H-benzimidazol-2-amine
CID 145154327
N'-(1H-benzimidazol-2-yl)propane-1,3-diamine
CID 11593576
N-(2-bromoethyl)-1H-benzimidazol-2-amine
CID 119092998
N-(4,4,4-trifluorobutyl)-1H-benzimidazol-2-amine
CID 113327793
N-decyl-6-fluoro-1H-benzimidazol-2-amine
CID 103295033
N-(2-fluoroethyl)-1H-benzimidazol-2-amine
CID 91044936
N-[4-(1,2,4-triazol-4-yl)butyl]-1H-benzimidazol-2-amine
CID 133410530
N-(2-methoxyethyl)-1H-benzimidazol-2-amine
CID 16653132
N-(1H-benzimidazol-2-yl)undecanamide
CID 5093764
N-[2-(1H-benzimidazol-2-yl)ethyl]pentan-1-amine
CID 82336874
N-butyl-6-iodo-1H-benzimidazol-2-amine
CID 162670767
tert-butyl N-[3-(1H-benzimidazol-2-ylamino)propyl]carbamate
CID 15425062

Frequently Asked Questions

What is the IUPAC name of N-pentyl-1H-benzimidazol-2-amine;hydrochloride?
The IUPAC name of N-pentyl-1H-benzimidazol-2-amine;hydrochloride (CID 174826614) is N-pentyl-1H-benzimidazol-2-amine;hydrochloride.
What is the SMILES notation for N-pentyl-1H-benzimidazol-2-amine;hydrochloride?
The canonical SMILES for N-pentyl-1H-benzimidazol-2-amine;hydrochloride is CCCCCNc1nc2ccccc2[nH]1.Cl.
What is the InChIKey of N-pentyl-1H-benzimidazol-2-amine;hydrochloride?
The InChIKey is JPGJXXVGCJUSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3.ClH/c1-2-3-6-9-13-12-14-10-7-4-5-8-11(10)15-12;/h4-5,7-8H,2-3,6,9H2,1H3,(H2,13,14,15);1H.
What are the key properties of N-pentyl-1H-benzimidazol-2-amine;hydrochloride?
N-pentyl-1H-benzimidazol-2-amine;hydrochloride has a molecular weight of 239.75 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-1H-benzimidazol-2-amine;hydrochloride is sourced from PubChem (CID 174826614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).