1-[1-(2-chlorophenyl)ethyl]-7-methylbenzimidazol-2-amine

C16H16ClN3 — CID 115552367

IUPAC1-[1-(2-chlorophenyl)ethyl]-7-methylbenzimidazol-2-amine
SMILESCc1cccc2nc(N)n(C(C)c3ccccc3Cl)c12
InChIInChI=1S/C16H16ClN3/c1-10-6-5-9-14-15(10)20(16(18)19-14)11(2)12-7-3-4-8-13(12)17/h3-9,11H,1-2H3,(H2,18,19)
InChIKeyKTPNOVQMDPZNME-UHFFFAOYSA-N
MW285.78 g/mol
LogP4.19
Rot. Bonds2

About 1-[1-(2-chlorophenyl)ethyl]-7-methylbenzimidazol-2-amine

1-[1-(2-chlorophenyl)ethyl]-7-methylbenzimidazol-2-amine (PubChem CID 115552367) has the molecular formula C16H16ClN3 and a molecular weight of 285.78 g/mol. Its IUPAC name is 1-[1-(2-chlorophenyl)ethyl]-7-methylbenzimidazol-2-amine.

Molecular Properties

Compound Name1-[1-(2-chlorophenyl)ethyl]-7-methylbenzimidazol-2-amine
PubChem CID115552367
Molecular FormulaC16H16ClN3
Molecular Weight285.78 g/mol
Exact Mass285.10
IUPAC Name1-[1-(2-chlorophenyl)ethyl]-7-methylbenzimidazol-2-amine
SMILESCc1cccc2nc(N)n(C(C)c3ccccc3Cl)c12
InChIInChI=1S/C16H16ClN3/c1-10-6-5-9-14-15(10)20(16(18)19-14)11(2)12-7-3-4-8-13(12)17/h3-9,11H,1-2H3,(H2,18,19)
InChIKeyKTPNOVQMDPZNME-UHFFFAOYSA-N
XLogP4.19
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(2-chlorophenyl)ethyl]-5-methoxyimidazo[4,5-b]pyridin-2-amine
CID 115322282
7-methyl-1-[1-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine
CID 113333995
7-chloro-1-(1-thiophen-3-ylethyl)benzimidazol-2-amine
CID 62843686
6-chloro-1-[1-(2-methylphenyl)ethyl]benzimidazol-2-amine
CID 115470510
7-methyl-1-(4-phenylbutan-2-yl)benzimidazol-2-amine
CID 115552403
methyl 2-(2-amino-7-methylbenzimidazol-1-yl)propanoate
CID 115552359
7-chloro-1-(1-cyclopropylethyl)benzimidazol-2-amine
CID 43662113
7-methyl-1-(4,4,4-trifluorobutan-2-yl)benzimidazol-2-amine
CID 114129973
7-methyl-1-(2,4,5-trichlorophenyl)benzimidazol-2-amine
CID 115552270
7-chloro-1-(4,4,4-trifluorobutan-2-yl)benzimidazol-2-amine
CID 114129976
7-methyl-1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-amine
CID 115552424
1,7-dimethylbenzimidazol-2-amine;ethane
CID 170767427

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-chlorophenyl)ethyl]-7-methylbenzimidazol-2-amine?
The IUPAC name of 1-[1-(2-chlorophenyl)ethyl]-7-methylbenzimidazol-2-amine (CID 115552367) is 1-[1-(2-chlorophenyl)ethyl]-7-methylbenzimidazol-2-amine.
What is the SMILES notation for 1-[1-(2-chlorophenyl)ethyl]-7-methylbenzimidazol-2-amine?
The canonical SMILES for 1-[1-(2-chlorophenyl)ethyl]-7-methylbenzimidazol-2-amine is Cc1cccc2nc(N)n(C(C)c3ccccc3Cl)c12.
What is the InChIKey of 1-[1-(2-chlorophenyl)ethyl]-7-methylbenzimidazol-2-amine?
The InChIKey is KTPNOVQMDPZNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3/c1-10-6-5-9-14-15(10)20(16(18)19-14)11(2)12-7-3-4-8-13(12)17/h3-9,11H,1-2H3,(H2,18,19).
What are the key properties of 1-[1-(2-chlorophenyl)ethyl]-7-methylbenzimidazol-2-amine?
1-[1-(2-chlorophenyl)ethyl]-7-methylbenzimidazol-2-amine has a molecular weight of 285.78 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-chlorophenyl)ethyl]-7-methylbenzimidazol-2-amine is sourced from PubChem (CID 115552367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).