3-[2-(1H-benzimidazol-2-yl)phenyl]-2-methylquinazolin-4-one

C22H16N4O — CID 71327930

IUPAC3-[2-(1H-benzimidazol-2-yl)phenyl]-2-methylquinazolin-4-one
SMILESCc1nc2ccccc2c(=O)n1-c1ccccc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C22H16N4O/c1-14-23-17-10-4-2-8-15(17)22(27)26(14)20-13-7-3-9-16(20)21-24-18-11-5-6-12-19(18)25-21/h2-13H,1H3,(H,24,25)
InChIKeyOSYDJIQRXURUSA-UHFFFAOYSA-N
MW352.40 g/mol
LogP4.24
Rot. Bonds2

About 3-[2-(1H-benzimidazol-2-yl)phenyl]-2-methylquinazolin-4-one

3-[2-(1H-benzimidazol-2-yl)phenyl]-2-methylquinazolin-4-one (PubChem CID 71327930) has the molecular formula C22H16N4O and a molecular weight of 352.40 g/mol. Its IUPAC name is 3-[2-(1H-benzimidazol-2-yl)phenyl]-2-methylquinazolin-4-one.

Molecular Properties

Compound Name3-[2-(1H-benzimidazol-2-yl)phenyl]-2-methylquinazolin-4-one
PubChem CID71327930
Molecular FormulaC22H16N4O
Molecular Weight352.40 g/mol
Exact Mass352.13
IUPAC Name3-[2-(1H-benzimidazol-2-yl)phenyl]-2-methylquinazolin-4-one
SMILESCc1nc2ccccc2c(=O)n1-c1ccccc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C22H16N4O/c1-14-23-17-10-4-2-8-15(17)22(27)26(14)20-13-7-3-9-16(20)21-24-18-11-5-6-12-19(18)25-21/h2-13H,1H3,(H,24,25)
InChIKeyOSYDJIQRXURUSA-UHFFFAOYSA-N
XLogP4.24
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-chloro-3-methylphenyl)-2-methylquinazolin-4-one
CID 3031678
CID 131876705
CID 131876705
3-(4-hydroxy-2-methylphenyl)-2-methylquinazolin-4-one
CID 21143
2-methyl-3-[2-(1,1,2,2,2-pentadeuterioethyl)phenyl]quinazolin-4-one
CID 71316434
2-methyl-3-(2-morpholin-4-ylphenyl)quinazolin-4-one
CID 45258529
3-(2,4-difluorophenyl)-2-methylquinazolin-4-one
CID 2824755
2-methyl-3-(2-methyl-3-trimethylsilyloxyphenyl)quinazolin-4-one
CID 629564
bis(2-(1H-benzimidazol-2-yl)phenolate);cobalt(2+)
CID 139068471
copper bis(2-(1H-benzimidazol-2-yl)phenolate)
CID 134105250
7-hydroxy-2-methyl-3-(2-methylphenyl)quinazolin-4-one
CID 5377276
6-methoxyiminoindolo[2,1-b]quinazolin-12-one
CID 73349845
2-(2-pyrazol-1-ylphenyl)-3H-quinazolin-4-one
CID 168553065

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1H-benzimidazol-2-yl)phenyl]-2-methylquinazolin-4-one?
The IUPAC name of 3-[2-(1H-benzimidazol-2-yl)phenyl]-2-methylquinazolin-4-one (CID 71327930) is 3-[2-(1H-benzimidazol-2-yl)phenyl]-2-methylquinazolin-4-one.
What is the SMILES notation for 3-[2-(1H-benzimidazol-2-yl)phenyl]-2-methylquinazolin-4-one?
The canonical SMILES for 3-[2-(1H-benzimidazol-2-yl)phenyl]-2-methylquinazolin-4-one is Cc1nc2ccccc2c(=O)n1-c1ccccc1-c1nc2ccccc2[nH]1.
What is the InChIKey of 3-[2-(1H-benzimidazol-2-yl)phenyl]-2-methylquinazolin-4-one?
The InChIKey is OSYDJIQRXURUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O/c1-14-23-17-10-4-2-8-15(17)22(27)26(14)20-13-7-3-9-16(20)21-24-18-11-5-6-12-19(18)25-21/h2-13H,1H3,(H,24,25).
What are the key properties of 3-[2-(1H-benzimidazol-2-yl)phenyl]-2-methylquinazolin-4-one?
3-[2-(1H-benzimidazol-2-yl)phenyl]-2-methylquinazolin-4-one has a molecular weight of 352.40 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1H-benzimidazol-2-yl)phenyl]-2-methylquinazolin-4-one is sourced from PubChem (CID 71327930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).