2-[1-(1H-benzimidazol-2-yl)propan-2-yl]-3H-quinazolin-4-one

C18H16N4O — CID 137315643

IUPAC2-[1-(1H-benzimidazol-2-yl)propan-2-yl]-3H-quinazolin-4-one
SMILESCC(Cc1nc2ccccc2[nH]1)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C18H16N4O/c1-11(10-16-19-14-8-4-5-9-15(14)20-16)17-21-13-7-3-2-6-12(13)18(23)22-17/h2-9,11H,10H2,1H3,(H,19,20)(H,21,22,23)
InChIKeyZUKRQIVBQVWZFB-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.15
Rot. Bonds3

About 2-[1-(1H-benzimidazol-2-yl)propan-2-yl]-3H-quinazolin-4-one

2-[1-(1H-benzimidazol-2-yl)propan-2-yl]-3H-quinazolin-4-one (PubChem CID 137315643) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-[1-(1H-benzimidazol-2-yl)propan-2-yl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[1-(1H-benzimidazol-2-yl)propan-2-yl]-3H-quinazolin-4-one
PubChem CID137315643
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC Name2-[1-(1H-benzimidazol-2-yl)propan-2-yl]-3H-quinazolin-4-one
SMILESCC(Cc1nc2ccccc2[nH]1)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C18H16N4O/c1-11(10-16-19-14-8-4-5-9-15(14)20-16)17-21-13-7-3-2-6-12(13)18(23)22-17/h2-9,11H,10H2,1H3,(H,19,20)(H,21,22,23)
InChIKeyZUKRQIVBQVWZFB-UHFFFAOYSA-N
XLogP3.15
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylpentyl)-3H-quinazolin-4-one
CID 136798516
2-[[methyl-[1-(4-oxo-3H-quinazolin-2-yl)ethyl]amino]methyl]-3H-quinazolin-4-one
CID 135854712
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135711282
4-(1H-benzimidazol-2-yl)-3-methylbutanoic acid
CID 12789249
N-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]formamide
CID 137132952
2-[(1R)-1-[methyl-[(1S)-1-phenylethyl]amino]ethyl]-3H-quinazolin-4-one
CID 136794259
2-(1-hydroxy-2-phenylethyl)-3H-quinazolin-4-one
CID 175537868
2-[(1R)-1-[ethyl(methyl)amino]ethyl]-3H-quinazolin-4-one
CID 136877593
2-(2-naphthalen-2-ylpropyl)-1H-benzimidazole
CID 69480611
2-(dimethoxymethyl)-3H-quinazolin-4-one
CID 135453675
2-[(1S)-1-[[(2R)-butan-2-yl]amino]ethyl]-3H-quinazolin-4-one
CID 135726942
2-[(1R)-1-(propan-2-ylamino)propyl]-3H-quinazolin-4-one
CID 135800866

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1H-benzimidazol-2-yl)propan-2-yl]-3H-quinazolin-4-one?
The IUPAC name of 2-[1-(1H-benzimidazol-2-yl)propan-2-yl]-3H-quinazolin-4-one (CID 137315643) is 2-[1-(1H-benzimidazol-2-yl)propan-2-yl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[1-(1H-benzimidazol-2-yl)propan-2-yl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[1-(1H-benzimidazol-2-yl)propan-2-yl]-3H-quinazolin-4-one is CC(Cc1nc2ccccc2[nH]1)c1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 2-[1-(1H-benzimidazol-2-yl)propan-2-yl]-3H-quinazolin-4-one?
The InChIKey is ZUKRQIVBQVWZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c1-11(10-16-19-14-8-4-5-9-15(14)20-16)17-21-13-7-3-2-6-12(13)18(23)22-17/h2-9,11H,10H2,1H3,(H,19,20)(H,21,22,23).
What are the key properties of 2-[1-(1H-benzimidazol-2-yl)propan-2-yl]-3H-quinazolin-4-one?
2-[1-(1H-benzimidazol-2-yl)propan-2-yl]-3H-quinazolin-4-one has a molecular weight of 304.35 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1H-benzimidazol-2-yl)propan-2-yl]-3H-quinazolin-4-one is sourced from PubChem (CID 137315643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).