1-ethyl-2-(3-methylphenyl)benzimidazol-5-amine

C16H17N3 — CID 82382499

IUPAC1-ethyl-2-(3-methylphenyl)benzimidazol-5-amine
SMILESCCn1c(-c2cccc(C)c2)nc2cc(N)ccc21
InChIInChI=1S/C16H17N3/c1-3-19-15-8-7-13(17)10-14(15)18-16(19)12-6-4-5-11(2)9-12/h4-10H,3,17H2,1-2H3
InChIKeyTVOBFPAGTKAXRV-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.61
Rot. Bonds2

About 1-ethyl-2-(3-methylphenyl)benzimidazol-5-amine

1-ethyl-2-(3-methylphenyl)benzimidazol-5-amine (PubChem CID 82382499) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-ethyl-2-(3-methylphenyl)benzimidazol-5-amine.

Molecular Properties

Compound Name1-ethyl-2-(3-methylphenyl)benzimidazol-5-amine
PubChem CID82382499
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name1-ethyl-2-(3-methylphenyl)benzimidazol-5-amine
SMILESCCn1c(-c2cccc(C)c2)nc2cc(N)ccc21
InChIInChI=1S/C16H17N3/c1-3-19-15-8-7-13(17)10-14(15)18-16(19)12-6-4-5-11(2)9-12/h4-10H,3,17H2,1-2H3
InChIKeyTVOBFPAGTKAXRV-UHFFFAOYSA-N
XLogP3.61
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenyl)-1-ethylbenzimidazol-5-amine
CID 83813225
1-ethyl-2-(3-methylphenyl)pyrrolo[3,2-b]pyridin-5-amine
CID 155323773
3-(1-butyl-5-methylbenzimidazol-2-yl)aniline
CID 82333006
2-chloro-5-(1-ethyl-5-methylbenzimidazol-2-yl)aniline
CID 60784511
3-ethyl-5-(3-methylphenyl)-2-phenylimidazol-4-amine
CID 62222262
2-[4-(chloromethyl)phenyl]-1-ethyl-5-methylbenzimidazole
CID 60785471
2-(3-bromophenyl)-1-ethylbenzimidazole-5-carbonitrile
CID 65040395
5-(1,5-diethylbenzimidazol-2-yl)-2-methylaniline
CID 82333570
5-methyl-2-phenyl-1-propylbenzimidazole
CID 72721451
3-(1-ethyl-5-methylbenzimidazol-2-yl)-2-methylphenol
CID 82829202
3-(1-ethyl-5-methylbenzimidazol-2-yl)pyrazin-2-amine
CID 63262209
1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]benzimidazol-5-amine
CID 22380200

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(3-methylphenyl)benzimidazol-5-amine?
The IUPAC name of 1-ethyl-2-(3-methylphenyl)benzimidazol-5-amine (CID 82382499) is 1-ethyl-2-(3-methylphenyl)benzimidazol-5-amine.
What is the SMILES notation for 1-ethyl-2-(3-methylphenyl)benzimidazol-5-amine?
The canonical SMILES for 1-ethyl-2-(3-methylphenyl)benzimidazol-5-amine is CCn1c(-c2cccc(C)c2)nc2cc(N)ccc21.
What is the InChIKey of 1-ethyl-2-(3-methylphenyl)benzimidazol-5-amine?
The InChIKey is TVOBFPAGTKAXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-3-19-15-8-7-13(17)10-14(15)18-16(19)12-6-4-5-11(2)9-12/h4-10H,3,17H2,1-2H3.
What are the key properties of 1-ethyl-2-(3-methylphenyl)benzimidazol-5-amine?
1-ethyl-2-(3-methylphenyl)benzimidazol-5-amine has a molecular weight of 251.33 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(3-methylphenyl)benzimidazol-5-amine is sourced from PubChem (CID 82382499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).