N-[1-(3-chlorophenyl)ethyl]-1H-benzimidazol-2-amine

C15H14ClN3 — CID 60724213

IUPACN-[1-(3-chlorophenyl)ethyl]-1H-benzimidazol-2-amine
SMILESCC(Nc1nc2ccccc2[nH]1)c1cccc(Cl)c1
InChIInChI=1S/C15H14ClN3/c1-10(11-5-4-6-12(16)9-11)17-15-18-13-7-2-3-8-14(13)19-15/h2-10H,1H3,(H2,17,18,19)
InChIKeyFWGKCDAHGNYWBW-UHFFFAOYSA-N
MW271.75 g/mol
LogP4.39
Rot. Bonds3

About N-[1-(3-chlorophenyl)ethyl]-1H-benzimidazol-2-amine

N-[1-(3-chlorophenyl)ethyl]-1H-benzimidazol-2-amine (PubChem CID 60724213) has the molecular formula C15H14ClN3 and a molecular weight of 271.75 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]-1H-benzimidazol-2-amine
PubChem CID60724213
Molecular FormulaC15H14ClN3
Molecular Weight271.75 g/mol
Exact Mass271.09
IUPAC NameN-[1-(3-chlorophenyl)ethyl]-1H-benzimidazol-2-amine
SMILESCC(Nc1nc2ccccc2[nH]1)c1cccc(Cl)c1
InChIInChI=1S/C15H14ClN3/c1-10(11-5-4-6-12(16)9-11)17-15-18-13-7-2-3-8-14(13)19-15/h2-10H,1H3,(H2,17,18,19)
InChIKeyFWGKCDAHGNYWBW-UHFFFAOYSA-N
XLogP4.39
TPSA40.71 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 ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,4-dichlorophenyl)ethyl]-1H-benzimidazol-2-amine
CID 63535929
N-[1-(3-chlorophenyl)ethyl]-5-methyl-1H-imidazol-2-amine
CID 106566722
6-methyl-N-(1-phenylethyl)-1H-benzimidazol-2-amine
CID 45017469
6-chloro-N-[1-(4-methoxyphenyl)ethyl]-1H-benzimidazol-2-amine
CID 82562713
6-chloro-2-[[(1S)-1-phenylethyl]amino]-3H-quinazolin-4-one
CID 135450956
N-(1-pyridin-2-ylethyl)-1H-benzimidazol-2-amine
CID 60724163
(2S)-2-(1H-benzimidazol-2-ylamino)propanoic acid
CID 54541903
(2R)-2-(1H-benzimidazol-2-ylamino)propanoic acid
CID 54541904
N-[1-(5-methylfuran-2-yl)ethyl]-1H-benzimidazol-2-amine
CID 61038634
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-benzimidazol-2-amine
CID 106282981
N-[1-(3-chlorophenyl)ethyl]-2,1-benzothiazol-3-amine
CID 63372965
N-[(Z)-1-(3-chlorophenyl)ethylideneamino]-1H-benzimidazol-2-amine
CID 6085973

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]-1H-benzimidazol-2-amine?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]-1H-benzimidazol-2-amine (CID 60724213) is N-[1-(3-chlorophenyl)ethyl]-1H-benzimidazol-2-amine.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]-1H-benzimidazol-2-amine?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]-1H-benzimidazol-2-amine is CC(Nc1nc2ccccc2[nH]1)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]-1H-benzimidazol-2-amine?
The InChIKey is FWGKCDAHGNYWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3/c1-10(11-5-4-6-12(16)9-11)17-15-18-13-7-2-3-8-14(13)19-15/h2-10H,1H3,(H2,17,18,19).
What are the key properties of N-[1-(3-chlorophenyl)ethyl]-1H-benzimidazol-2-amine?
N-[1-(3-chlorophenyl)ethyl]-1H-benzimidazol-2-amine has a molecular weight of 271.75 g/mol, XLogP of 4.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)ethyl]-1H-benzimidazol-2-amine is sourced from PubChem (CID 60724213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).