2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-amine

C15H14ClN3 — CID 4080442

IUPAC2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-amine
SMILESNc1ccc2nc(CCc3ccc(Cl)cc3)[nH]c2c1
InChIInChI=1S/C15H14ClN3/c16-11-4-1-10(2-5-11)3-8-15-18-13-7-6-12(17)9-14(13)19-15/h1-2,4-7,9H,3,8,17H2,(H,18,19)
InChIKeyXYPQTPXDSBANBQ-UHFFFAOYSA-N
MW271.75 g/mol
LogP3.58
Rot. Bonds3

About 2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-amine

2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-amine (PubChem CID 4080442) has the molecular formula C15H14ClN3 and a molecular weight of 271.75 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-amine.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-amine
PubChem CID4080442
Molecular FormulaC15H14ClN3
Molecular Weight271.75 g/mol
Exact Mass271.09
IUPAC Name2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-amine
SMILESNc1ccc2nc(CCc3ccc(Cl)cc3)[nH]c2c1
InChIInChI=1S/C15H14ClN3/c16-11-4-1-10(2-5-11)3-8-15-18-13-7-6-12(17)9-14(13)19-15/h1-2,4-7,9H,3,8,17H2,(H,18,19)
InChIKeyXYPQTPXDSBANBQ-UHFFFAOYSA-N
XLogP3.58
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(6-chloro-1H-benzimidazol-2-yl)ethanamine;hydrochloride
CID 46736450
2-[2-(4-aminophenyl)ethyl]-3H-benzimidazole-5-carboxylic acid dichloride
CID 43829299
2-[2-(4-aminophenyl)ethyl]-3H-benzimidazole-5-carboxylic acid;hydrochloride
CID 44630855
2-butyl-3H-benzimidazol-5-amine
CID 23301932
3-(6-amino-1H-benzimidazol-2-yl)propan-1-ol
CID 3096134
2-ethyl-3H-benzimidazol-5-amine
CID 3094372
6-chloro-2-[6-(6-chloro-1H-benzimidazol-2-yl)hexyl]-1H-benzimidazole
CID 23276808
4-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
CID 145173276
2-(2-ethoxyethyl)-3H-benzimidazol-5-amine
CID 62589728
4-(6-amino-1H-benzimidazol-2-yl)butan-2-ol;dihydrochloride
CID 45156250
2-(2-butan-2-ylsulfanylethyl)-3H-benzimidazol-5-amine
CID 43513849
N-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide
CID 24758473

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-amine?
The IUPAC name of 2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-amine (CID 4080442) is 2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-amine.
What is the SMILES notation for 2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-amine?
The canonical SMILES for 2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-amine is Nc1ccc2nc(CCc3ccc(Cl)cc3)[nH]c2c1.
What is the InChIKey of 2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-amine?
The InChIKey is XYPQTPXDSBANBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3/c16-11-4-1-10(2-5-11)3-8-15-18-13-7-6-12(17)9-14(13)19-15/h1-2,4-7,9H,3,8,17H2,(H,18,19).
What are the key properties of 2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-amine?
2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-amine has a molecular weight of 271.75 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-amine is sourced from PubChem (CID 4080442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).