7-(5,6-dimethyl-1H-benzimidazol-4-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one

C17H18N4O — CID 146389607

IUPAC7-(5,6-dimethyl-1H-benzimidazol-4-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESCc1cc2[nH]cnc2c(C2CCc3c(nc[nH]c3=O)C2)c1C
InChIInChI=1S/C17H18N4O/c1-9-5-14-16(20-7-19-14)15(10(9)2)11-3-4-12-13(6-11)18-8-21-17(12)22/h5,7-8,11H,3-4,6H2,1-2H3,(H,19,20)(H,18,21,22)
InChIKeyKNRLGQMSYLYJAS-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.54
Rot. Bonds1

About 7-(5,6-dimethyl-1H-benzimidazol-4-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one

7-(5,6-dimethyl-1H-benzimidazol-4-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one (PubChem CID 146389607) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 7-(5,6-dimethyl-1H-benzimidazol-4-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one.

Molecular Properties

Compound Name7-(5,6-dimethyl-1H-benzimidazol-4-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
PubChem CID146389607
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name7-(5,6-dimethyl-1H-benzimidazol-4-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESCc1cc2[nH]cnc2c(C2CCc3c(nc[nH]c3=O)C2)c1C
InChIInChI=1S/C17H18N4O/c1-9-5-14-16(20-7-19-14)15(10(9)2)11-3-4-12-13(6-11)18-8-21-17(12)22/h5,7-8,11H,3-4,6H2,1-2H3,(H,19,20)(H,18,21,22)
InChIKeyKNRLGQMSYLYJAS-UHFFFAOYSA-N
XLogP2.54
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 7-(5,6-dimethyl-1H-benzimidazol-4-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[7-(5,6-dimethyl-1H-benzimidazol-4-yl)-5,6,7,8-tetrahydroquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one
CID 146389592
4,6-dimethyl-1H-benzimidazol-5-amine
CID 18400127
6,7,8-trimethyl-3H-quinazolin-4-one
CID 137284029
6-methyl-1,5-dihydroimidazo[4,5-c]pyridin-4-one
CID 45079524
6-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 163692097
4-fluoro-6-methyl-1H-benzimidazol-5-amine
CID 70645112
7-(4,5-dimethylpyridazin-3-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 146044898
7-(3,3-dimethylcyclopentyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 154569635
(6S)-6-methyl-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
CID 136713366
(6R)-6-methyl-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
CID 136713365
6-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 172892369
7,9,9-trimethyl-5,6,7,8-tetrahydro-3H-cyclohepta[d]pyrimidin-4-one
CID 142252977

Frequently Asked Questions

What is the IUPAC name of 7-(5,6-dimethyl-1H-benzimidazol-4-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The IUPAC name of 7-(5,6-dimethyl-1H-benzimidazol-4-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one (CID 146389607) is 7-(5,6-dimethyl-1H-benzimidazol-4-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one.
What is the SMILES notation for 7-(5,6-dimethyl-1H-benzimidazol-4-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The canonical SMILES for 7-(5,6-dimethyl-1H-benzimidazol-4-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one is Cc1cc2[nH]cnc2c(C2CCc3c(nc[nH]c3=O)C2)c1C.
What is the InChIKey of 7-(5,6-dimethyl-1H-benzimidazol-4-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The InChIKey is KNRLGQMSYLYJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-9-5-14-16(20-7-19-14)15(10(9)2)11-3-4-12-13(6-11)18-8-21-17(12)22/h5,7-8,11H,3-4,6H2,1-2H3,(H,19,20)(H,18,21,22).
What are the key properties of 7-(5,6-dimethyl-1H-benzimidazol-4-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
7-(5,6-dimethyl-1H-benzimidazol-4-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one has a molecular weight of 294.36 g/mol, XLogP of 2.54, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5,6-dimethyl-1H-benzimidazol-4-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one is sourced from PubChem (CID 146389607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).