(5-chloro-1-ethylbenzimidazol-2-yl)-phenylmethanamine

C16H16ClN3 — CID 60784401

IUPAC(5-chloro-1-ethylbenzimidazol-2-yl)-phenylmethanamine
SMILESCCn1c(C(N)c2ccccc2)nc2cc(Cl)ccc21
InChIInChI=1S/C16H16ClN3/c1-2-20-14-9-8-12(17)10-13(14)19-16(20)15(18)11-6-4-3-5-7-11/h3-10,15H,2,18H2,1H3
InChIKeyALCDFEMCWTVUSZ-UHFFFAOYSA-N
MW285.78 g/mol
LogP3.76
Rot. Bonds3

About (5-chloro-1-ethylbenzimidazol-2-yl)-phenylmethanamine

(5-chloro-1-ethylbenzimidazol-2-yl)-phenylmethanamine (PubChem CID 60784401) has the molecular formula C16H16ClN3 and a molecular weight of 285.78 g/mol. Its IUPAC name is (5-chloro-1-ethylbenzimidazol-2-yl)-phenylmethanamine.

Molecular Properties

Compound Name(5-chloro-1-ethylbenzimidazol-2-yl)-phenylmethanamine
PubChem CID60784401
Molecular FormulaC16H16ClN3
Molecular Weight285.78 g/mol
Exact Mass285.10
IUPAC Name(5-chloro-1-ethylbenzimidazol-2-yl)-phenylmethanamine
SMILESCCn1c(C(N)c2ccccc2)nc2cc(Cl)ccc21
InChIInChI=1S/C16H16ClN3/c1-2-20-14-9-8-12(17)10-13(14)19-16(20)15(18)11-6-4-3-5-7-11/h3-10,15H,2,18H2,1H3
InChIKeyALCDFEMCWTVUSZ-UHFFFAOYSA-N
XLogP3.76
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 ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5-chloro-1-ethylbenzimidazol-2-yl)-phenylmethanamine 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

5-chloro-1-ethyl-2-(1-phenylpropyl)benzimidazole
CID 46310477
(5-chloro-1-methylbenzimidazol-2-yl)-phenylmethanamine
CID 54920059
5-chloro-2-(1-chloroethyl)-1-ethylbenzimidazole
CID 43666414
(7-chloro-1-ethylbenzimidazol-2-yl)-phenylmethanamine
CID 60787082
(5-chloro-1-ethylbenzimidazol-2-yl)-cyclohexylmethanamine
CID 61015427
ethyl 2-(5-chloro-1-ethylbenzimidazol-2-yl)propanoate
CID 79474797
2-[1-(azetidin-3-yl)ethyl]-5-chloro-1-ethylbenzimidazole
CID 116682105
2-(6-chloro-1-ethylbenzimidazol-2-yl)-1-phenylethanamine
CID 115472609
2-[2-(1-aminopropyl)-5-chlorobenzimidazol-1-yl]ethanol
CID 82332591
5-chloro-1-ethylbenzimidazole-2-carboxylic acid
CID 130659632
2-(5-chloro-1-ethylbenzimidazol-2-yl)benzene-1,3-diol
CID 136813261
2-butan-2-yl-5-chloro-1-propylbenzimidazole
CID 46310727

Frequently Asked Questions

What is the IUPAC name of (5-chloro-1-ethylbenzimidazol-2-yl)-phenylmethanamine?
The IUPAC name of (5-chloro-1-ethylbenzimidazol-2-yl)-phenylmethanamine (CID 60784401) is (5-chloro-1-ethylbenzimidazol-2-yl)-phenylmethanamine.
What is the SMILES notation for (5-chloro-1-ethylbenzimidazol-2-yl)-phenylmethanamine?
The canonical SMILES for (5-chloro-1-ethylbenzimidazol-2-yl)-phenylmethanamine is CCn1c(C(N)c2ccccc2)nc2cc(Cl)ccc21.
What is the InChIKey of (5-chloro-1-ethylbenzimidazol-2-yl)-phenylmethanamine?
The InChIKey is ALCDFEMCWTVUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3/c1-2-20-14-9-8-12(17)10-13(14)19-16(20)15(18)11-6-4-3-5-7-11/h3-10,15H,2,18H2,1H3.
What are the key properties of (5-chloro-1-ethylbenzimidazol-2-yl)-phenylmethanamine?
(5-chloro-1-ethylbenzimidazol-2-yl)-phenylmethanamine has a molecular weight of 285.78 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1-ethylbenzimidazol-2-yl)-phenylmethanamine is sourced from PubChem (CID 60784401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).