(2-ethylbenzimidazol-1-yl)-(4-methylphenyl)methanone

C17H16N2O — CID 177379362

IUPAC(2-ethylbenzimidazol-1-yl)-(4-methylphenyl)methanone
SMILESCCc1nc2ccccc2n1C(=O)c1ccc(C)cc1
InChIInChI=1S/C17H16N2O/c1-3-16-18-14-6-4-5-7-15(14)19(16)17(20)13-10-8-12(2)9-11-13/h4-11H,3H2,1-2H3
InChIKeyGBYWNEDACZHSNS-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.60
Rot. Bonds2

About (2-ethylbenzimidazol-1-yl)-(4-methylphenyl)methanone

(2-ethylbenzimidazol-1-yl)-(4-methylphenyl)methanone (PubChem CID 177379362) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is (2-ethylbenzimidazol-1-yl)-(4-methylphenyl)methanone.

Molecular Properties

Compound Name(2-ethylbenzimidazol-1-yl)-(4-methylphenyl)methanone
PubChem CID177379362
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name(2-ethylbenzimidazol-1-yl)-(4-methylphenyl)methanone
SMILESCCc1nc2ccccc2n1C(=O)c1ccc(C)cc1
InChIInChI=1S/C17H16N2O/c1-3-16-18-14-6-4-5-7-15(14)19(16)17(20)13-10-8-12(2)9-11-13/h4-11H,3H2,1-2H3
InChIKeyGBYWNEDACZHSNS-UHFFFAOYSA-N
XLogP3.60
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethylbenzimidazol-1-yl)ethanone
CID 45078254
(2-benzylbenzimidazol-1-yl)-(4-hydroxyphenyl)methanone
CID 23766408
(2-benzylbenzimidazol-1-yl)-(3-methylphenyl)methanone
CID 5153789
benzimidazol-1-yl-(4-methylphenyl)methanone
CID 710618
(4-chlorophenyl)-[2-(4-chlorophenyl)benzimidazol-1-yl]methanone
CID 21177132
1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(4-methylphenyl)methanone
CID 791787
[1-(4-chlorobenzoyl)benzimidazol-2-yl]methyl 4-chlorobenzoate
CID 21204758
[2-(azidomethyl)benzimidazol-1-yl]-(4-nitrophenyl)methanone
CID 71349141
2-(2-methylbenzimidazol-1-yl)-1-(4-methylphenyl)ethanone
CID 39917000
(2-tert-butylbenzimidazol-1-yl)-(4-phenylphenyl)methanone
CID 175870012
1-benzoyl-N,N-diethylbenzimidazole-2-carboxamide
CID 23945501
(2S)-2-(2-ethylbenzimidazol-1-yl)propanamide
CID 94671511

Frequently Asked Questions

What is the IUPAC name of (2-ethylbenzimidazol-1-yl)-(4-methylphenyl)methanone?
The IUPAC name of (2-ethylbenzimidazol-1-yl)-(4-methylphenyl)methanone (CID 177379362) is (2-ethylbenzimidazol-1-yl)-(4-methylphenyl)methanone.
What is the SMILES notation for (2-ethylbenzimidazol-1-yl)-(4-methylphenyl)methanone?
The canonical SMILES for (2-ethylbenzimidazol-1-yl)-(4-methylphenyl)methanone is CCc1nc2ccccc2n1C(=O)c1ccc(C)cc1.
What is the InChIKey of (2-ethylbenzimidazol-1-yl)-(4-methylphenyl)methanone?
The InChIKey is GBYWNEDACZHSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-3-16-18-14-6-4-5-7-15(14)19(16)17(20)13-10-8-12(2)9-11-13/h4-11H,3H2,1-2H3.
What are the key properties of (2-ethylbenzimidazol-1-yl)-(4-methylphenyl)methanone?
(2-ethylbenzimidazol-1-yl)-(4-methylphenyl)methanone has a molecular weight of 264.33 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylbenzimidazol-1-yl)-(4-methylphenyl)methanone is sourced from PubChem (CID 177379362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).