1-[2-[3-ethyl-5-(3-methylphenyl)phenyl]-3H-benzimidazol-5-yl]ethenamine

C24H23N3 — CID 144603581

IUPAC1-[2-[3-ethyl-5-(3-methylphenyl)phenyl]-3H-benzimidazol-5-yl]ethenamine
SMILESC=C(N)c1ccc2nc(-c3cc(CC)cc(-c4cccc(C)c4)c3)[nH]c2c1
InChIInChI=1S/C24H23N3/c1-4-17-11-20(19-7-5-6-15(2)10-19)13-21(12-17)24-26-22-9-8-18(16(3)25)14-23(22)27-24/h5-14H,3-4,25H2,1-2H3,(H,26,27)
InChIKeySFRNZJHSHHAFNM-UHFFFAOYSA-N
MW353.47 g/mol
LogP5.70
Rot. Bonds4

About 1-[2-[3-ethyl-5-(3-methylphenyl)phenyl]-3H-benzimidazol-5-yl]ethenamine

1-[2-[3-ethyl-5-(3-methylphenyl)phenyl]-3H-benzimidazol-5-yl]ethenamine (PubChem CID 144603581) has the molecular formula C24H23N3 and a molecular weight of 353.47 g/mol. Its IUPAC name is 1-[2-[3-ethyl-5-(3-methylphenyl)phenyl]-3H-benzimidazol-5-yl]ethenamine.

Molecular Properties

Compound Name1-[2-[3-ethyl-5-(3-methylphenyl)phenyl]-3H-benzimidazol-5-yl]ethenamine
PubChem CID144603581
Molecular FormulaC24H23N3
Molecular Weight353.47 g/mol
Exact Mass353.19
IUPAC Name1-[2-[3-ethyl-5-(3-methylphenyl)phenyl]-3H-benzimidazol-5-yl]ethenamine
SMILESC=C(N)c1ccc2nc(-c3cc(CC)cc(-c4cccc(C)c4)c3)[nH]c2c1
InChIInChI=1S/C24H23N3/c1-4-17-11-20(19-7-5-6-15(2)10-19)13-21(12-17)24-26-22-9-8-18(16(3)25)14-23(22)27-24/h5-14H,3-4,25H2,1-2H3,(H,26,27)
InChIKeySFRNZJHSHHAFNM-UHFFFAOYSA-N
XLogP5.70
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.47
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[2-[3-ethyl-5-(3-methylphenyl)phenyl]-3H-benzimidazol-5-yl]ethenamine 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-(3-methylphenyl)-3H-benzimidazol-5-yl]methanamine
CID 79004545
3-(6-ethyl-1H-benzimidazol-2-yl)aniline
CID 80502947
ethane;bis(2-methyl-6-[2-(3-methylphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole);bis(2-methyl-6-[2-(4-methylphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole)
CID 158043672
6-(2-methyl-1H-indol-6-yl)-2-(3-methylphenyl)-1H-benzimidazole
CID 18683779
bis(carbon dioxide);ethanol;4-methylbenzene-1,2-diamine;6-methyl-2-phenyl-1H-benzimidazole
CID 159310716
2-[3-(6-carboxy-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-carboxylic acid;hydrochloride
CID 2728750
2-hydroxy-1-[2-(3-phenylphenyl)-3H-benzimidazol-5-yl]ethanone
CID 157296298
2-chloro-N'-[3-(6-methyl-1H-benzimidazol-2-yl)phenyl]ethanimidamide
CID 169368338
ethyl 2-(4-chlorophenyl)-3H-benzimidazole-5-carboxylate
CID 91673681
6-methyl-2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole
CID 20689909
2-(6-ethyl-1H-benzimidazol-2-yl)benzene-1,3-diol
CID 136813316
2-[5-[2-[4-[6-(1-aminoethenyl)-1H-benzimidazol-2-yl]phenyl]ethyl]thiophen-2-yl]-3H-benzimidazole-5-carboximidamide
CID 58856207

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-ethyl-5-(3-methylphenyl)phenyl]-3H-benzimidazol-5-yl]ethenamine?
The IUPAC name of 1-[2-[3-ethyl-5-(3-methylphenyl)phenyl]-3H-benzimidazol-5-yl]ethenamine (CID 144603581) is 1-[2-[3-ethyl-5-(3-methylphenyl)phenyl]-3H-benzimidazol-5-yl]ethenamine.
What is the SMILES notation for 1-[2-[3-ethyl-5-(3-methylphenyl)phenyl]-3H-benzimidazol-5-yl]ethenamine?
The canonical SMILES for 1-[2-[3-ethyl-5-(3-methylphenyl)phenyl]-3H-benzimidazol-5-yl]ethenamine is C=C(N)c1ccc2nc(-c3cc(CC)cc(-c4cccc(C)c4)c3)[nH]c2c1.
What is the InChIKey of 1-[2-[3-ethyl-5-(3-methylphenyl)phenyl]-3H-benzimidazol-5-yl]ethenamine?
The InChIKey is SFRNZJHSHHAFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3/c1-4-17-11-20(19-7-5-6-15(2)10-19)13-21(12-17)24-26-22-9-8-18(16(3)25)14-23(22)27-24/h5-14H,3-4,25H2,1-2H3,(H,26,27).
What are the key properties of 1-[2-[3-ethyl-5-(3-methylphenyl)phenyl]-3H-benzimidazol-5-yl]ethenamine?
1-[2-[3-ethyl-5-(3-methylphenyl)phenyl]-3H-benzimidazol-5-yl]ethenamine has a molecular weight of 353.47 g/mol, XLogP of 5.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-ethyl-5-(3-methylphenyl)phenyl]-3H-benzimidazol-5-yl]ethenamine is sourced from PubChem (CID 144603581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).