1-[2-(2-chloro-6-methylphenyl)-3H-benzimidazol-5-yl]-2-(3,4-dimethylphenyl)ethanone

C24H21ClN2O — CID 58156387

IUPAC1-[2-(2-chloro-6-methylphenyl)-3H-benzimidazol-5-yl]-2-(3,4-dimethylphenyl)ethanone
SMILESCc1ccc(CC(=O)c2ccc3nc(-c4c(C)cccc4Cl)[nH]c3c2)cc1C
InChIInChI=1S/C24H21ClN2O/c1-14-7-8-17(11-16(14)3)12-22(28)18-9-10-20-21(13-18)27-24(26-20)23-15(2)5-4-6-19(23)25/h4-11,13H,12H2,1-3H3,(H,26,27)
InChIKeyQHAJULQYJXSLKJ-UHFFFAOYSA-N
MW388.90 g/mol
LogP6.23
Rot. Bonds4

About 1-[2-(2-chloro-6-methylphenyl)-3H-benzimidazol-5-yl]-2-(3,4-dimethylphenyl)ethanone

1-[2-(2-chloro-6-methylphenyl)-3H-benzimidazol-5-yl]-2-(3,4-dimethylphenyl)ethanone (PubChem CID 58156387) has the molecular formula C24H21ClN2O and a molecular weight of 388.90 g/mol. Its IUPAC name is 1-[2-(2-chloro-6-methylphenyl)-3H-benzimidazol-5-yl]-2-(3,4-dimethylphenyl)ethanone.

Molecular Properties

Compound Name1-[2-(2-chloro-6-methylphenyl)-3H-benzimidazol-5-yl]-2-(3,4-dimethylphenyl)ethanone
PubChem CID58156387
Molecular FormulaC24H21ClN2O
Molecular Weight388.90 g/mol
Exact Mass388.13
IUPAC Name1-[2-(2-chloro-6-methylphenyl)-3H-benzimidazol-5-yl]-2-(3,4-dimethylphenyl)ethanone
SMILESCc1ccc(CC(=O)c2ccc3nc(-c4c(C)cccc4Cl)[nH]c3c2)cc1C
InChIInChI=1S/C24H21ClN2O/c1-14-7-8-17(11-16(14)3)12-22(28)18-9-10-20-21(13-18)27-24(26-20)23-15(2)5-4-6-19(23)25/h4-11,13H,12H2,1-3H3,(H,26,27)
InChIKeyQHAJULQYJXSLKJ-UHFFFAOYSA-N
XLogP6.23
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.90
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-2-(3,4-dimethylphenyl)ethanone
CID 58156251
2-(3,4-dimethylphenyl)-1-[2-(2,3-dimethylphenyl)-3H-benzimidazol-5-yl]ethanone
CID 58156357
2-(3-chlorophenyl)-1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]ethanone
CID 58156336
1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 58156366
1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-2-quinolin-6-ylethanone
CID 58156343
7-[2-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-2-oxoethyl]-4-methylchromen-2-one
CID 58156249
2-(4-butylphenyl)-1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]ethanone;carbon dioxide
CID 161155663
2-[4-[6-[2-(3,4-dimethylphenyl)acetyl]-1H-benzimidazol-2-yl]-3,5-dimethylphenoxy]acetic acid
CID 58156365
ethyl (E)-3-[4-[2-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-2-oxoethyl]phenyl]prop-2-enoate
CID 58156253
1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]ethanone
CID 143659491
2-(2,6-dichlorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 66965180
2-(2,6-dimethylphenyl)-N,N-diethyl-3H-benzimidazole-5-carboxamide
CID 143659496

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chloro-6-methylphenyl)-3H-benzimidazol-5-yl]-2-(3,4-dimethylphenyl)ethanone?
The IUPAC name of 1-[2-(2-chloro-6-methylphenyl)-3H-benzimidazol-5-yl]-2-(3,4-dimethylphenyl)ethanone (CID 58156387) is 1-[2-(2-chloro-6-methylphenyl)-3H-benzimidazol-5-yl]-2-(3,4-dimethylphenyl)ethanone.
What is the SMILES notation for 1-[2-(2-chloro-6-methylphenyl)-3H-benzimidazol-5-yl]-2-(3,4-dimethylphenyl)ethanone?
The canonical SMILES for 1-[2-(2-chloro-6-methylphenyl)-3H-benzimidazol-5-yl]-2-(3,4-dimethylphenyl)ethanone is Cc1ccc(CC(=O)c2ccc3nc(-c4c(C)cccc4Cl)[nH]c3c2)cc1C.
What is the InChIKey of 1-[2-(2-chloro-6-methylphenyl)-3H-benzimidazol-5-yl]-2-(3,4-dimethylphenyl)ethanone?
The InChIKey is QHAJULQYJXSLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O/c1-14-7-8-17(11-16(14)3)12-22(28)18-9-10-20-21(13-18)27-24(26-20)23-15(2)5-4-6-19(23)25/h4-11,13H,12H2,1-3H3,(H,26,27).
What are the key properties of 1-[2-(2-chloro-6-methylphenyl)-3H-benzimidazol-5-yl]-2-(3,4-dimethylphenyl)ethanone?
1-[2-(2-chloro-6-methylphenyl)-3H-benzimidazol-5-yl]-2-(3,4-dimethylphenyl)ethanone has a molecular weight of 388.90 g/mol, XLogP of 6.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chloro-6-methylphenyl)-3H-benzimidazol-5-yl]-2-(3,4-dimethylphenyl)ethanone is sourced from PubChem (CID 58156387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).