6-methyl-3-[1-(6-methylquinazolin-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one

C22H23N5O — CID 139785898

IUPAC6-methyl-3-[1-(6-methylquinazolin-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCc1ccc2c(c1)[nH]c(=O)n2C1CCN(c2ncnc3ccc(C)cc23)CC1
InChIInChI=1S/C22H23N5O/c1-14-3-5-18-17(11-14)21(24-13-23-18)26-9-7-16(8-10-26)27-20-6-4-15(2)12-19(20)25-22(27)28/h3-6,11-13,16H,7-10H2,1-2H3,(H,25,28)
InChIKeyZRXYOZOVCMAHIO-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.73
Rot. Bonds2

About 6-methyl-3-[1-(6-methylquinazolin-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one

6-methyl-3-[1-(6-methylquinazolin-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 139785898) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is 6-methyl-3-[1-(6-methylquinazolin-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name6-methyl-3-[1-(6-methylquinazolin-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID139785898
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name6-methyl-3-[1-(6-methylquinazolin-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCc1ccc2c(c1)[nH]c(=O)n2C1CCN(c2ncnc3ccc(C)cc23)CC1
InChIInChI=1S/C22H23N5O/c1-14-3-5-18-17(11-14)21(24-13-23-18)26-9-7-16(8-10-26)27-20-6-4-15(2)12-19(20)25-22(27)28/h3-6,11-13,16H,7-10H2,1-2H3,(H,25,28)
InChIKeyZRXYOZOVCMAHIO-UHFFFAOYSA-N
XLogP3.73
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-methyl-3-[1-(6-methylquinazolin-4-yl)piperidin-4-yl]-1H-benzimidazol-2-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

1,3-dibutyl-8-[4-(5-methyl-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]imidazo[4,5-g]quinazolin-2-one
CID 139785963
3-[1-(2-chloro-6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-6-methyl-1H-benzimidazol-2-one
CID 139785905
6-methyl-3-(1-methylpyrrolidin-3-yl)-1H-benzimidazol-2-one
CID 117207011
5-bromo-3-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-6-methyl-1H-benzimidazol-2-one
CID 139785951
4-(4-cyclohexyloxypiperidin-1-yl)-6-methylquinazoline
CID 133278333
3-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-1H-quinazoline-2,4-dione
CID 14668436
3-[1-(6,7-diethoxyquinazolin-4-yl)piperidin-4-yl]-1,6-dimethylquinazoline-2,4-dione
CID 22923353
6-methyl-4-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]quinazoline
CID 133300671
6-methyl-3-[1-(4-methylpyrrolidin-3-yl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 68633558
1-butyl-3-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-6-methylquinazoline-2,4-dione
CID 22923409
trans-(1S,2S)-2-[4-(6-methylquinazolin-4-yl)piperazin-1-yl]cyclohexan-1-ol
CID 56853258
7-methyl-3-(1-methylpiperidin-4-yl)-1H-quinazoline-2,4-dione
CID 117261515

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[1-(6-methylquinazolin-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 6-methyl-3-[1-(6-methylquinazolin-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one (CID 139785898) is 6-methyl-3-[1-(6-methylquinazolin-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 6-methyl-3-[1-(6-methylquinazolin-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 6-methyl-3-[1-(6-methylquinazolin-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one is Cc1ccc2c(c1)[nH]c(=O)n2C1CCN(c2ncnc3ccc(C)cc23)CC1.
What is the InChIKey of 6-methyl-3-[1-(6-methylquinazolin-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is ZRXYOZOVCMAHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-14-3-5-18-17(11-14)21(24-13-23-18)26-9-7-16(8-10-26)27-20-6-4-15(2)12-19(20)25-22(27)28/h3-6,11-13,16H,7-10H2,1-2H3,(H,25,28).
What are the key properties of 6-methyl-3-[1-(6-methylquinazolin-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one?
6-methyl-3-[1-(6-methylquinazolin-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 373.46 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[1-(6-methylquinazolin-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 139785898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).