1-methyl-3-phenyl-5-[3-[6-(2-phenylphenyl)-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzimidazol-2-one

C48H34N4O — CID 167485505

IUPAC1-methyl-3-phenyl-5-[3-[6-(2-phenylphenyl)-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzimidazol-2-one
SMILESCn1c(=O)n(-c2ccccc2)c2cc(-c3cccc(-c4cc(-c5ccccc5-c5ccccc5)nc(-c5ccc(-c6ccccc6)cc5)n4)c3)ccc21
InChIInChI=1S/C48H34N4O/c1-51-45-29-28-38(31-46(45)52(48(51)53)40-20-9-4-10-21-40)37-18-13-19-39(30-37)43-32-44(42-23-12-11-22-41(42)35-16-7-3-8-17-35)50-47(49-43)36-26-24-34(25-27-36)33-14-5-2-6-15-33/h2-32H,1H3
InChIKeyOLGNUNFYBKVFPC-UHFFFAOYSA-N
MW682.83 g/mol
LogP11.12
Rot. Bonds7

About 1-methyl-3-phenyl-5-[3-[6-(2-phenylphenyl)-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzimidazol-2-one

1-methyl-3-phenyl-5-[3-[6-(2-phenylphenyl)-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzimidazol-2-one (PubChem CID 167485505) has the molecular formula C48H34N4O and a molecular weight of 682.83 g/mol. Its IUPAC name is 1-methyl-3-phenyl-5-[3-[6-(2-phenylphenyl)-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzimidazol-2-one.

Molecular Properties

Compound Name1-methyl-3-phenyl-5-[3-[6-(2-phenylphenyl)-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzimidazol-2-one
PubChem CID167485505
Molecular FormulaC48H34N4O
Molecular Weight682.83 g/mol
Exact Mass682.27
IUPAC Name1-methyl-3-phenyl-5-[3-[6-(2-phenylphenyl)-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzimidazol-2-one
SMILESCn1c(=O)n(-c2ccccc2)c2cc(-c3cccc(-c4cc(-c5ccccc5-c5ccccc5)nc(-c5ccc(-c6ccccc6)cc5)n4)c3)ccc21
InChIInChI=1S/C48H34N4O/c1-51-45-29-28-38(31-46(45)52(48(51)53)40-20-9-4-10-21-40)37-18-13-19-39(30-37)43-32-44(42-23-12-11-22-41(42)35-16-7-3-8-17-35)50-47(49-43)36-26-24-34(25-27-36)33-14-5-2-6-15-33/h2-32H,1H3
InChIKeyOLGNUNFYBKVFPC-UHFFFAOYSA-N
XLogP11.12
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500682.83
LogP ≤ 511.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-3-phenyl-5-[3-[4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzimidazol-2-one
CID 172507484
1,3-dimethyl-4-[3-[6-(2-phenylphenyl)-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzimidazol-2-one
CID 172507204
5-[4-[6-[4-(3,4-diphenylphenyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-1,3-dimethylbenzimidazol-2-one
CID 172507719
1,3-dimethyl-5-[4-[2-(2-phenylphenyl)-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzimidazol-2-one
CID 172507457
1,3-dimethyl-5-[4-[4-[4-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]benzimidazol-2-one
CID 172507309
5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-3-methyl-1-phenylbenzimidazol-2-one
CID 167485196
1,3-dimethyl-5-[10-[2-[2-phenyl-6-(2-phenylphenyl)pyrimidin-4-yl]phenyl]anthracen-9-yl]benzimidazol-2-one
CID 167485029
1,3-dimethyl-5-[3-[2-phenyl-6-[3-(10-phenylanthracen-9-yl)phenyl]pyrimidin-4-yl]phenyl]benzimidazol-2-one
CID 172507633
1,3-dimethyl-5-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzimidazol-2-one
CID 172507275
1,3-dimethyl-5-[4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]benzimidazol-2-one
CID 172507342
5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,3-diphenylbenzimidazol-2-one
CID 172507759
5-[4-[4-[4-(2,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,3-dimethylbenzimidazol-2-one
CID 167485224

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-phenyl-5-[3-[6-(2-phenylphenyl)-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzimidazol-2-one?
The IUPAC name of 1-methyl-3-phenyl-5-[3-[6-(2-phenylphenyl)-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzimidazol-2-one (CID 167485505) is 1-methyl-3-phenyl-5-[3-[6-(2-phenylphenyl)-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzimidazol-2-one.
What is the SMILES notation for 1-methyl-3-phenyl-5-[3-[6-(2-phenylphenyl)-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzimidazol-2-one?
The canonical SMILES for 1-methyl-3-phenyl-5-[3-[6-(2-phenylphenyl)-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzimidazol-2-one is Cn1c(=O)n(-c2ccccc2)c2cc(-c3cccc(-c4cc(-c5ccccc5-c5ccccc5)nc(-c5ccc(-c6ccccc6)cc5)n4)c3)ccc21.
What is the InChIKey of 1-methyl-3-phenyl-5-[3-[6-(2-phenylphenyl)-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzimidazol-2-one?
The InChIKey is OLGNUNFYBKVFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34N4O/c1-51-45-29-28-38(31-46(45)52(48(51)53)40-20-9-4-10-21-40)37-18-13-19-39(30-37)43-32-44(42-23-12-11-22-41(42)35-16-7-3-8-17-35)50-47(49-43)36-26-24-34(25-27-36)33-14-5-2-6-15-33/h2-32H,1H3.
What are the key properties of 1-methyl-3-phenyl-5-[3-[6-(2-phenylphenyl)-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzimidazol-2-one?
1-methyl-3-phenyl-5-[3-[6-(2-phenylphenyl)-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzimidazol-2-one has a molecular weight of 682.83 g/mol, XLogP of 11.12, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-phenyl-5-[3-[6-(2-phenylphenyl)-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzimidazol-2-one is sourced from PubChem (CID 167485505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).