3-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]quinazolin-4-one

C33H22N4O — CID 121247662

IUPAC3-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]quinazolin-4-one
SMILESO=c1c2ccccc2nc(-c2ccc(-c3nc4ccccc4n3-c3ccccc3)cc2)n1-c1ccccc1
InChIInChI=1S/C33H22N4O/c38-33-27-15-7-8-16-28(27)34-32(37(33)26-13-5-2-6-14-26)24-21-19-23(20-22-24)31-35-29-17-9-10-18-30(29)36(31)25-11-3-1-4-12-25/h1-22H
InChIKeyUGSFORJINKGJLC-UHFFFAOYSA-N
MW490.57 g/mol
LogP7.06
Rot. Bonds4

About 3-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]quinazolin-4-one

3-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]quinazolin-4-one (PubChem CID 121247662) has the molecular formula C33H22N4O and a molecular weight of 490.57 g/mol. Its IUPAC name is 3-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]quinazolin-4-one.

Molecular Properties

Compound Name3-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]quinazolin-4-one
PubChem CID121247662
Molecular FormulaC33H22N4O
Molecular Weight490.57 g/mol
Exact Mass490.18
IUPAC Name3-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]quinazolin-4-one
SMILESO=c1c2ccccc2nc(-c2ccc(-c3nc4ccccc4n3-c3ccccc3)cc2)n1-c1ccccc1
InChIInChI=1S/C33H22N4O/c38-33-27-15-7-8-16-28(27)34-32(37(33)26-13-5-2-6-14-26)24-21-19-23(20-22-24)31-35-29-17-9-10-18-30(29)36(31)25-11-3-1-4-12-25/h1-22H
InChIKeyUGSFORJINKGJLC-UHFFFAOYSA-N
XLogP7.06
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.57
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole
CID 18629889
9-[4-[4-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 58470934
2,3-bis(4-bromophenyl)quinazolin-4-one
CID 3707353
2-(4-phenylphenyl)-3-pyridin-4-ylquinazolin-4-one
CID 1047183
2,3-bis[3-(4-phenylquinazolin-2-yl)phenyl]quinazolin-4-one;2-phenyl-3-[4-(2-phenylbenzimidazol-1-yl)phenyl]quinazolin-4-one;3-phenyl-2-[4-(2-phenylbenzimidazol-1-yl)phenyl]quinazolin-4-one
CID 159155859
3-[3,5-bis(4-oxo-2-phenylquinazolin-3-yl)phenyl]-2-phenylquinazolin-4-one
CID 121247436
2-[4-[4,6-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1-phenylbenzimidazole
CID 155186062
2-phenyl-3-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-4-one
CID 121247295
2-[3-(4-oxo-3-phenylquinazolin-2-yl)-5-phenylphenyl]-3-phenylquinazolin-4-one
CID 121247434
2-(4-bromophenyl)-1-phenylbenzimidazole
CID 23094070
2-[4-(10-methylphenanthren-9-yl)phenyl]-1-phenylbenzimidazole
CID 166656592
2-(4-chlorophenyl)-3-(4-hydroxyphenyl)quinazolin-4-one
CID 23854030

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]quinazolin-4-one?
The IUPAC name of 3-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]quinazolin-4-one (CID 121247662) is 3-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]quinazolin-4-one.
What is the SMILES notation for 3-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]quinazolin-4-one?
The canonical SMILES for 3-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]quinazolin-4-one is O=c1c2ccccc2nc(-c2ccc(-c3nc4ccccc4n3-c3ccccc3)cc2)n1-c1ccccc1.
What is the InChIKey of 3-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]quinazolin-4-one?
The InChIKey is UGSFORJINKGJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22N4O/c38-33-27-15-7-8-16-28(27)34-32(37(33)26-13-5-2-6-14-26)24-21-19-23(20-22-24)31-35-29-17-9-10-18-30(29)36(31)25-11-3-1-4-12-25/h1-22H.
What are the key properties of 3-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]quinazolin-4-one?
3-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]quinazolin-4-one has a molecular weight of 490.57 g/mol, XLogP of 7.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]quinazolin-4-one is sourced from PubChem (CID 121247662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).