4-(4-chlorophenyl)-1-phenyl-4-(2-phenylbenzimidazol-1-yl)butan-1-one

C29H23ClN2O — CID 132547870

IUPAC4-(4-chlorophenyl)-1-phenyl-4-(2-phenylbenzimidazol-1-yl)butan-1-one
SMILESO=C(CCC(c1ccc(Cl)cc1)n1c(-c2ccccc2)nc2ccccc21)c1ccccc1
InChIInChI=1S/C29H23ClN2O/c30-24-17-15-21(16-18-24)26(19-20-28(33)22-9-3-1-4-10-22)32-27-14-8-7-13-25(27)31-29(32)23-11-5-2-6-12-23/h1-18,26H,19-20H2
InChIKeyYWINNBAMAOJROY-UHFFFAOYSA-N
MW450.97 g/mol
LogP7.61
Rot. Bonds7

About 4-(4-chlorophenyl)-1-phenyl-4-(2-phenylbenzimidazol-1-yl)butan-1-one

4-(4-chlorophenyl)-1-phenyl-4-(2-phenylbenzimidazol-1-yl)butan-1-one (PubChem CID 132547870) has the molecular formula C29H23ClN2O and a molecular weight of 450.97 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-phenyl-4-(2-phenylbenzimidazol-1-yl)butan-1-one.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-phenyl-4-(2-phenylbenzimidazol-1-yl)butan-1-one
PubChem CID132547870
Molecular FormulaC29H23ClN2O
Molecular Weight450.97 g/mol
Exact Mass450.15
IUPAC Name4-(4-chlorophenyl)-1-phenyl-4-(2-phenylbenzimidazol-1-yl)butan-1-one
SMILESO=C(CCC(c1ccc(Cl)cc1)n1c(-c2ccccc2)nc2ccccc21)c1ccccc1
InChIInChI=1S/C29H23ClN2O/c30-24-17-15-21(16-18-24)26(19-20-28(33)22-9-3-1-4-10-22)32-27-14-8-7-13-25(27)31-29(32)23-11-5-2-6-12-23/h1-18,26H,19-20H2
InChIKeyYWINNBAMAOJROY-UHFFFAOYSA-N
XLogP7.61
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.97
LogP ≤ 57.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-chlorophenyl)benzimidazol-1-yl]-4-methylpentanoic acid
CID 142760440
1-(difluoromethyl)-2-phenylbenzimidazole
CID 91167618
1-(4-chlorophenyl)-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylethanone
CID 39005978
(4-chlorophenyl)-[2-(4-chlorophenyl)benzimidazol-1-yl]methanone
CID 21177132
2-[2-(4-chlorobenzoyl)benzimidazol-1-yl]-1-phenylethanone
CID 51032263
4-(1-propan-2-ylbenzimidazol-2-yl)benzoic acid
CID 4915596
1-[1-(4-chlorophenyl)ethyl]-3-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-1-methylurea
CID 42889930
3-(4-chlorophenyl)-3-hydroxy-1-phenylpropan-1-one
CID 11032650
2-[2-(4-methylphenyl)benzimidazol-1-yl]butanoic acid
CID 82144650
1-(2-deuteriopropan-2-yl)-2-phenylbenzimidazole
CID 166563925
2-[2-[2-(4-chlorophenyl)benzimidazol-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 135122097
3-[5-(4-chlorophenyl)tetrazol-1-yl]-1-phenylpropan-1-one
CID 46890515

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-phenyl-4-(2-phenylbenzimidazol-1-yl)butan-1-one?
The IUPAC name of 4-(4-chlorophenyl)-1-phenyl-4-(2-phenylbenzimidazol-1-yl)butan-1-one (CID 132547870) is 4-(4-chlorophenyl)-1-phenyl-4-(2-phenylbenzimidazol-1-yl)butan-1-one.
What is the SMILES notation for 4-(4-chlorophenyl)-1-phenyl-4-(2-phenylbenzimidazol-1-yl)butan-1-one?
The canonical SMILES for 4-(4-chlorophenyl)-1-phenyl-4-(2-phenylbenzimidazol-1-yl)butan-1-one is O=C(CCC(c1ccc(Cl)cc1)n1c(-c2ccccc2)nc2ccccc21)c1ccccc1.
What is the InChIKey of 4-(4-chlorophenyl)-1-phenyl-4-(2-phenylbenzimidazol-1-yl)butan-1-one?
The InChIKey is YWINNBAMAOJROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23ClN2O/c30-24-17-15-21(16-18-24)26(19-20-28(33)22-9-3-1-4-10-22)32-27-14-8-7-13-25(27)31-29(32)23-11-5-2-6-12-23/h1-18,26H,19-20H2.
What are the key properties of 4-(4-chlorophenyl)-1-phenyl-4-(2-phenylbenzimidazol-1-yl)butan-1-one?
4-(4-chlorophenyl)-1-phenyl-4-(2-phenylbenzimidazol-1-yl)butan-1-one has a molecular weight of 450.97 g/mol, XLogP of 7.61, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-phenyl-4-(2-phenylbenzimidazol-1-yl)butan-1-one is sourced from PubChem (CID 132547870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).