4-chloro-1-[2-(2-methylphenyl)ethyl]benzimidazol-2-amine

C16H16ClN3 — CID 104837197

IUPAC4-chloro-1-[2-(2-methylphenyl)ethyl]benzimidazol-2-amine
SMILESCc1ccccc1CCn1c(N)nc2c(Cl)cccc21
InChIInChI=1S/C16H16ClN3/c1-11-5-2-3-6-12(11)9-10-20-14-8-4-7-13(17)15(14)19-16(20)18/h2-8H,9-10H2,1H3,(H2,18,19)
InChIKeyFFEXVTPSXPPDTQ-UHFFFAOYSA-N
MW285.78 g/mol
LogP3.82
Rot. Bonds3

About 4-chloro-1-[2-(2-methylphenyl)ethyl]benzimidazol-2-amine

4-chloro-1-[2-(2-methylphenyl)ethyl]benzimidazol-2-amine (PubChem CID 104837197) has the molecular formula C16H16ClN3 and a molecular weight of 285.78 g/mol. Its IUPAC name is 4-chloro-1-[2-(2-methylphenyl)ethyl]benzimidazol-2-amine.

Molecular Properties

Compound Name4-chloro-1-[2-(2-methylphenyl)ethyl]benzimidazol-2-amine
PubChem CID104837197
Molecular FormulaC16H16ClN3
Molecular Weight285.78 g/mol
Exact Mass285.10
IUPAC Name4-chloro-1-[2-(2-methylphenyl)ethyl]benzimidazol-2-amine
SMILESCc1ccccc1CCn1c(N)nc2c(Cl)cccc21
InChIInChI=1S/C16H16ClN3/c1-11-5-2-3-6-12(11)9-10-20-14-8-4-7-13(17)15(14)19-16(20)18/h2-8H,9-10H2,1H3,(H2,18,19)
InChIKeyFFEXVTPSXPPDTQ-UHFFFAOYSA-N
XLogP3.82
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-chloro-1-[2-(2-methylphenyl)ethyl]benzimidazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-1-[2-(2-methylphenyl)ethyl]benzimidazole-4-carbonitrile
CID 104719063
6-chloro-1-[2-(2-methylphenyl)ethyl]benzimidazol-2-amine
CID 115470703
4-chloro-1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzimidazol-2-amine
CID 104837217
4-chloro-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazol-2-amine
CID 103008445
3-(2-amino-4-chlorobenzimidazol-1-yl)propanoic acid
CID 84736899
4-chloro-1-(7-methyloctyl)benzimidazol-2-amine
CID 107816942
6-fluoro-1-[2-(2-methylphenyl)ethyl]benzimidazol-2-amine
CID 79757549
4-chloro-1-(2-chloro-6-methylphenyl)benzimidazol-2-amine
CID 104837184
4-chloro-1-[(4-ethylphenyl)methyl]benzimidazol-2-amine
CID 106900318
4-chloro-1-[(5-methylthiophen-2-yl)methyl]benzimidazol-2-amine
CID 104837059
2-(2-amino-4-chlorobenzimidazol-1-yl)acetamide
CID 104836765
1-[(2-chlorophenyl)methyl]-4-fluorobenzimidazol-2-amine
CID 60789953

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[2-(2-methylphenyl)ethyl]benzimidazol-2-amine?
The IUPAC name of 4-chloro-1-[2-(2-methylphenyl)ethyl]benzimidazol-2-amine (CID 104837197) is 4-chloro-1-[2-(2-methylphenyl)ethyl]benzimidazol-2-amine.
What is the SMILES notation for 4-chloro-1-[2-(2-methylphenyl)ethyl]benzimidazol-2-amine?
The canonical SMILES for 4-chloro-1-[2-(2-methylphenyl)ethyl]benzimidazol-2-amine is Cc1ccccc1CCn1c(N)nc2c(Cl)cccc21.
What is the InChIKey of 4-chloro-1-[2-(2-methylphenyl)ethyl]benzimidazol-2-amine?
The InChIKey is FFEXVTPSXPPDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3/c1-11-5-2-3-6-12(11)9-10-20-14-8-4-7-13(17)15(14)19-16(20)18/h2-8H,9-10H2,1H3,(H2,18,19).
What are the key properties of 4-chloro-1-[2-(2-methylphenyl)ethyl]benzimidazol-2-amine?
4-chloro-1-[2-(2-methylphenyl)ethyl]benzimidazol-2-amine has a molecular weight of 285.78 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[2-(2-methylphenyl)ethyl]benzimidazol-2-amine is sourced from PubChem (CID 104837197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).