(2-tert-butylbenzimidazol-1-yl)-(4-phenylphenyl)methanone

C24H22N2O — CID 175870012

IUPAC(2-tert-butylbenzimidazol-1-yl)-(4-phenylphenyl)methanone
SMILESCC(C)(C)c1nc2ccccc2n1C(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H22N2O/c1-24(2,3)23-25-20-11-7-8-12-21(20)26(23)22(27)19-15-13-18(14-16-19)17-9-5-4-6-10-17/h4-16H,1-3H3
InChIKeyGVMSZKXLRYVZDX-UHFFFAOYSA-N
MW354.45 g/mol
LogP5.69
Rot. Bonds2

About (2-tert-butylbenzimidazol-1-yl)-(4-phenylphenyl)methanone

(2-tert-butylbenzimidazol-1-yl)-(4-phenylphenyl)methanone (PubChem CID 175870012) has the molecular formula C24H22N2O and a molecular weight of 354.45 g/mol. Its IUPAC name is (2-tert-butylbenzimidazol-1-yl)-(4-phenylphenyl)methanone.

Molecular Properties

Compound Name(2-tert-butylbenzimidazol-1-yl)-(4-phenylphenyl)methanone
PubChem CID175870012
Molecular FormulaC24H22N2O
Molecular Weight354.45 g/mol
Exact Mass354.17
IUPAC Name(2-tert-butylbenzimidazol-1-yl)-(4-phenylphenyl)methanone
SMILESCC(C)(C)c1nc2ccccc2n1C(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H22N2O/c1-24(2,3)23-25-20-11-7-8-12-21(20)26(23)22(27)19-15-13-18(14-16-19)17-9-5-4-6-10-17/h4-16H,1-3H3
InChIKeyGVMSZKXLRYVZDX-UHFFFAOYSA-N
XLogP5.69
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.45
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-tert-butylbenzimidazol-1-yl)-(4-methoxyphenyl)methanone
CID 134133618
(4-chlorophenyl)-[2-(4-chlorophenyl)benzimidazol-1-yl]methanone
CID 21177132
(2-ethylbenzimidazol-1-yl)-(4-methylphenyl)methanone
CID 177379362
[2-[6-(1-benzoylbenzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-yl]-phenylmethanone;vanadium;trichloride
CID 173243678
2-tert-butyl-1-[4-(2,10-diphenylanthracen-9-yl)phenyl]benzimidazole
CID 166043099
(2-benzylbenzimidazol-1-yl)-(4-hydroxyphenyl)methanone
CID 23766408
1-benzoyl-N,N-diethylbenzimidazole-2-carboxamide
CID 23945501
3-(2-tert-butylbenzimidazol-1-yl)butan-2-one
CID 17000493
(2-aminobenzimidazol-1-yl)-(4-chlorophenyl)methanone
CID 1088433
N-[(1R)-1-(1-benzoylbenzimidazol-2-yl)ethyl]benzamide
CID 71482011
N-[1-(4-phenylphenyl)ethylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 4259074
[(1S)-1-(1-benzoylbenzimidazol-2-yl)ethyl] acetate
CID 23582949

Frequently Asked Questions

What is the IUPAC name of (2-tert-butylbenzimidazol-1-yl)-(4-phenylphenyl)methanone?
The IUPAC name of (2-tert-butylbenzimidazol-1-yl)-(4-phenylphenyl)methanone (CID 175870012) is (2-tert-butylbenzimidazol-1-yl)-(4-phenylphenyl)methanone.
What is the SMILES notation for (2-tert-butylbenzimidazol-1-yl)-(4-phenylphenyl)methanone?
The canonical SMILES for (2-tert-butylbenzimidazol-1-yl)-(4-phenylphenyl)methanone is CC(C)(C)c1nc2ccccc2n1C(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (2-tert-butylbenzimidazol-1-yl)-(4-phenylphenyl)methanone?
The InChIKey is GVMSZKXLRYVZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O/c1-24(2,3)23-25-20-11-7-8-12-21(20)26(23)22(27)19-15-13-18(14-16-19)17-9-5-4-6-10-17/h4-16H,1-3H3.
What are the key properties of (2-tert-butylbenzimidazol-1-yl)-(4-phenylphenyl)methanone?
(2-tert-butylbenzimidazol-1-yl)-(4-phenylphenyl)methanone has a molecular weight of 354.45 g/mol, XLogP of 5.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butylbenzimidazol-1-yl)-(4-phenylphenyl)methanone is sourced from PubChem (CID 175870012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).