N-[(4-chlorophenyl)methyl]-1-ethylbenzimidazol-2-amine

C16H16ClN3 — CID 7013067

IUPACN-[(4-chlorophenyl)methyl]-1-ethylbenzimidazol-2-amine
SMILESCCn1c(NCc2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C16H16ClN3/c1-2-20-15-6-4-3-5-14(15)19-16(20)18-11-12-7-9-13(17)10-8-12/h3-10H,2,11H2,1H3,(H,18,19)
InChIKeyKHVDFFSHWDAXGV-UHFFFAOYSA-N
MW285.78 g/mol
LogP4.32
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-1-ethylbenzimidazol-2-amine

N-[(4-chlorophenyl)methyl]-1-ethylbenzimidazol-2-amine (PubChem CID 7013067) has the molecular formula C16H16ClN3 and a molecular weight of 285.78 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-ethylbenzimidazol-2-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-ethylbenzimidazol-2-amine
PubChem CID7013067
Molecular FormulaC16H16ClN3
Molecular Weight285.78 g/mol
Exact Mass285.10
IUPAC NameN-[(4-chlorophenyl)methyl]-1-ethylbenzimidazol-2-amine
SMILESCCn1c(NCc2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C16H16ClN3/c1-2-20-15-6-4-3-5-14(15)19-16(20)18-11-12-7-9-13(17)10-8-12/h3-10H,2,11H2,1H3,(H,18,19)
InChIKeyKHVDFFSHWDAXGV-UHFFFAOYSA-N
XLogP4.32
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-chlorophenyl)methyl]-1-ethylbenzimidazol-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

1-[(4-chlorophenyl)methyl]-N-ethylbenzimidazol-2-amine
CID 82359547
N-(4-chlorophenyl)-1-ethylbenzimidazol-2-amine
CID 924403
N-[(3,4-dimethoxyphenyl)methyl]-1-ethylbenzimidazol-2-amine
CID 937788
N,1-bis[(4-fluorophenyl)methyl]benzimidazol-2-amine
CID 11595468
1-ethyl-N-[(3-methylthiophen-2-yl)methyl]benzimidazol-2-amine
CID 7342846
N-[(9-ethylcarbazol-3-yl)methyl]-1-(2-phenylethyl)benzimidazol-2-amine
CID 166172551
N-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]acetamide
CID 867624
1-benzyl-N-[[4-(dimethylamino)phenyl]methyl]benzimidazol-2-amine;dihydrochloride
CID 2870437
1-ethyl-N-(1H-indol-3-ylmethyl)benzimidazol-2-amine
CID 647353
N-[(4-chlorophenyl)methyl]-2-(4-ethyl-3-oxoquinoxalin-2-yl)sulfanylacetamide
CID 46324939
N-[(4-chlorophenyl)methyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetamide
CID 51142146
N-[(2,3-dimethoxyphenyl)methyl]-1-ethylbenzimidazol-2-amine
CID 936324

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-ethylbenzimidazol-2-amine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-ethylbenzimidazol-2-amine (CID 7013067) is N-[(4-chlorophenyl)methyl]-1-ethylbenzimidazol-2-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-ethylbenzimidazol-2-amine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-ethylbenzimidazol-2-amine is CCn1c(NCc2ccc(Cl)cc2)nc2ccccc21.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-ethylbenzimidazol-2-amine?
The InChIKey is KHVDFFSHWDAXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3/c1-2-20-15-6-4-3-5-14(15)19-16(20)18-11-12-7-9-13(17)10-8-12/h3-10H,2,11H2,1H3,(H,18,19).
What are the key properties of N-[(4-chlorophenyl)methyl]-1-ethylbenzimidazol-2-amine?
N-[(4-chlorophenyl)methyl]-1-ethylbenzimidazol-2-amine has a molecular weight of 285.78 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1-ethylbenzimidazol-2-amine is sourced from PubChem (CID 7013067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).