6-chloro-N-(2-phenylethyl)-1H-benzimidazol-2-amine

C15H14ClN3 — CID 45021337

IUPAC6-chloro-N-(2-phenylethyl)-1H-benzimidazol-2-amine
SMILESClc1ccc2nc(NCCc3ccccc3)[nH]c2c1
InChIInChI=1S/C15H14ClN3/c16-12-6-7-13-14(10-12)19-15(18-13)17-9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H2,17,18,19)
InChIKeyIYLXWXNLZVXXSU-UHFFFAOYSA-N
MW271.75 g/mol
LogP3.87
Rot. Bonds4

About 6-chloro-N-(2-phenylethyl)-1H-benzimidazol-2-amine

6-chloro-N-(2-phenylethyl)-1H-benzimidazol-2-amine (PubChem CID 45021337) has the molecular formula C15H14ClN3 and a molecular weight of 271.75 g/mol. Its IUPAC name is 6-chloro-N-(2-phenylethyl)-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name6-chloro-N-(2-phenylethyl)-1H-benzimidazol-2-amine
PubChem CID45021337
Molecular FormulaC15H14ClN3
Molecular Weight271.75 g/mol
Exact Mass271.09
IUPAC Name6-chloro-N-(2-phenylethyl)-1H-benzimidazol-2-amine
SMILESClc1ccc2nc(NCCc3ccccc3)[nH]c2c1
InChIInChI=1S/C15H14ClN3/c16-12-6-7-13-14(10-12)19-15(18-13)17-9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H2,17,18,19)
InChIKeyIYLXWXNLZVXXSU-UHFFFAOYSA-N
XLogP3.87
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-N-(3-phenylpropyl)-1H-benzimidazol-2-amine
CID 82564399
6-chloro-N-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-amine
CID 82562708
6-bromo-N-[2-(4-fluorophenyl)ethyl]-1H-benzimidazol-2-amine
CID 82563510
N-[2-(3-methylphenyl)ethyl]-1H-benzimidazol-2-amine
CID 62313746
6-chloro-N-(thiophen-3-ylmethyl)-1H-benzimidazol-2-amine
CID 69311089
6-fluoro-N-(2-pyridin-3-ylethyl)-1H-benzimidazol-2-amine
CID 103294739
N-tert-butyl-6-chloro-1H-benzimidazol-2-amine
CID 119086306
1-N,4-N-bis(6-chloro-1H-benzimidazol-2-yl)benzene-1,4-diamine
CID 14688884
2-[2-(4-fluorophenyl)ethylamino]-3H-benzimidazole-5-carbonitrile
CID 82563411
N-[2-(2,5-difluorophenyl)ethyl]-1H-benzimidazol-2-amine
CID 133410613
6-chloro-N-[(2,4-difluorophenyl)methyl]-1H-benzimidazol-2-amine
CID 82564403
N-[(3-chlorophenyl)methyl]-6-methoxy-1H-benzimidazol-2-amine
CID 82564361

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-phenylethyl)-1H-benzimidazol-2-amine?
The IUPAC name of 6-chloro-N-(2-phenylethyl)-1H-benzimidazol-2-amine (CID 45021337) is 6-chloro-N-(2-phenylethyl)-1H-benzimidazol-2-amine.
What is the SMILES notation for 6-chloro-N-(2-phenylethyl)-1H-benzimidazol-2-amine?
The canonical SMILES for 6-chloro-N-(2-phenylethyl)-1H-benzimidazol-2-amine is Clc1ccc2nc(NCCc3ccccc3)[nH]c2c1.
What is the InChIKey of 6-chloro-N-(2-phenylethyl)-1H-benzimidazol-2-amine?
The InChIKey is IYLXWXNLZVXXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3/c16-12-6-7-13-14(10-12)19-15(18-13)17-9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H2,17,18,19).
What are the key properties of 6-chloro-N-(2-phenylethyl)-1H-benzimidazol-2-amine?
6-chloro-N-(2-phenylethyl)-1H-benzimidazol-2-amine has a molecular weight of 271.75 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-phenylethyl)-1H-benzimidazol-2-amine is sourced from PubChem (CID 45021337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).