2-(3,4-dimethylphenyl)-1-[2-(2,3-dimethylphenyl)-3H-benzimidazol-5-yl]ethanone

C25H24N2O — CID 58156357

IUPAC2-(3,4-dimethylphenyl)-1-[2-(2,3-dimethylphenyl)-3H-benzimidazol-5-yl]ethanone
SMILESCc1ccc(CC(=O)c2ccc3nc(-c4cccc(C)c4C)[nH]c3c2)cc1C
InChIInChI=1S/C25H24N2O/c1-15-8-9-19(12-17(15)3)13-24(28)20-10-11-22-23(14-20)27-25(26-22)21-7-5-6-16(2)18(21)4/h5-12,14H,13H2,1-4H3,(H,26,27)
InChIKeyWIBYQQKDIOZDGL-UHFFFAOYSA-N
MW368.48 g/mol
LogP5.89
Rot. Bonds4

About 2-(3,4-dimethylphenyl)-1-[2-(2,3-dimethylphenyl)-3H-benzimidazol-5-yl]ethanone

2-(3,4-dimethylphenyl)-1-[2-(2,3-dimethylphenyl)-3H-benzimidazol-5-yl]ethanone (PubChem CID 58156357) has the molecular formula C25H24N2O and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-1-[2-(2,3-dimethylphenyl)-3H-benzimidazol-5-yl]ethanone.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-1-[2-(2,3-dimethylphenyl)-3H-benzimidazol-5-yl]ethanone
PubChem CID58156357
Molecular FormulaC25H24N2O
Molecular Weight368.48 g/mol
Exact Mass368.19
IUPAC Name2-(3,4-dimethylphenyl)-1-[2-(2,3-dimethylphenyl)-3H-benzimidazol-5-yl]ethanone
SMILESCc1ccc(CC(=O)c2ccc3nc(-c4cccc(C)c4C)[nH]c3c2)cc1C
InChIInChI=1S/C25H24N2O/c1-15-8-9-19(12-17(15)3)13-24(28)20-10-11-22-23(14-20)27-25(26-22)21-7-5-6-16(2)18(21)4/h5-12,14H,13H2,1-4H3,(H,26,27)
InChIKeyWIBYQQKDIOZDGL-UHFFFAOYSA-N
XLogP5.89
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.48
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-chloro-6-methylphenyl)-3H-benzimidazol-5-yl]-2-(3,4-dimethylphenyl)ethanone
CID 58156387
1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-2-(3,4-dimethylphenyl)ethanone
CID 58156251
methyl 2-(2,3-dimethylphenyl)-3H-benzimidazole-5-carboxylate
CID 46995977
2-[4-[6-[2-(3,4-dimethylphenyl)acetyl]-1H-benzimidazol-2-yl]-3,5-dimethylphenoxy]acetic acid
CID 58156365
[2-(2,3-dimethylphenyl)-3H-benzimidazol-5-yl]methanamine
CID 79004360
2-(2,3-dimethylphenyl)-6-methylsulfonyl-1H-benzimidazole
CID 62067938
2-(3-chlorophenyl)-1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]ethanone
CID 58156336
7-[2-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-2-oxoethyl]-4-methylchromen-2-one
CID 58156249
1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 58156366
1-[2-(3,4-dimethylphenyl)-3H-benzimidazol-5-yl]ethanone
CID 82303742
2-(4-butylphenyl)-1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]ethanone;carbon dioxide
CID 161155663
1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-2-quinolin-6-ylethanone
CID 58156343

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-1-[2-(2,3-dimethylphenyl)-3H-benzimidazol-5-yl]ethanone?
The IUPAC name of 2-(3,4-dimethylphenyl)-1-[2-(2,3-dimethylphenyl)-3H-benzimidazol-5-yl]ethanone (CID 58156357) is 2-(3,4-dimethylphenyl)-1-[2-(2,3-dimethylphenyl)-3H-benzimidazol-5-yl]ethanone.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-1-[2-(2,3-dimethylphenyl)-3H-benzimidazol-5-yl]ethanone?
The canonical SMILES for 2-(3,4-dimethylphenyl)-1-[2-(2,3-dimethylphenyl)-3H-benzimidazol-5-yl]ethanone is Cc1ccc(CC(=O)c2ccc3nc(-c4cccc(C)c4C)[nH]c3c2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)-1-[2-(2,3-dimethylphenyl)-3H-benzimidazol-5-yl]ethanone?
The InChIKey is WIBYQQKDIOZDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O/c1-15-8-9-19(12-17(15)3)13-24(28)20-10-11-22-23(14-20)27-25(26-22)21-7-5-6-16(2)18(21)4/h5-12,14H,13H2,1-4H3,(H,26,27).
What are the key properties of 2-(3,4-dimethylphenyl)-1-[2-(2,3-dimethylphenyl)-3H-benzimidazol-5-yl]ethanone?
2-(3,4-dimethylphenyl)-1-[2-(2,3-dimethylphenyl)-3H-benzimidazol-5-yl]ethanone has a molecular weight of 368.48 g/mol, XLogP of 5.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-1-[2-(2,3-dimethylphenyl)-3H-benzimidazol-5-yl]ethanone is sourced from PubChem (CID 58156357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).