1-benzylcyclohepta[d]imidazol-2-one

C15H12N2O — CID 9689

IUPAC1-benzylcyclohepta[d]imidazol-2-one
SMILESO=c1nc2cccccc-2n1Cc1ccccc1
InChIInChI=1S/C15H12N2O/c18-15-16-13-9-5-2-6-10-14(13)17(15)11-12-7-3-1-4-8-12/h1-10H,11H2
InChIKeyPUDJZXFLQHLFGS-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.40
Rot. Bonds2

About 1-benzylcyclohepta[d]imidazol-2-one

1-benzylcyclohepta[d]imidazol-2-one (PubChem CID 9689) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is 1-benzylcyclohepta[d]imidazol-2-one.

Molecular Properties

Compound Name1-benzylcyclohepta[d]imidazol-2-one
PubChem CID9689
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC Name1-benzylcyclohepta[d]imidazol-2-one
SMILESO=c1nc2cccccc-2n1Cc1ccccc1
InChIInChI=1S/C15H12N2O/c18-15-16-13-9-5-2-6-10-14(13)17(15)11-12-7-3-1-4-8-12/h1-10H,11H2
InChIKeyPUDJZXFLQHLFGS-UHFFFAOYSA-N
XLogP2.40
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-benzylcyclohepta[d]imidazol-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-Methyl-4,6-diphenyl-2(1H)-pyrimidinone
CID 576570
4-Phenylpyrimidin-2-ol
CID 599076
4,6-diphenyl-1-propyl-2(1H)-pyrimidinone
CID 848854
1-allyl-4,6-diphenyl-2(1H)-pyrimidinone
CID 848830
4-Amino-1-benzylpyrimidin-2(1H)-one
CID 308581
1H-Pyrrolo(3,4-d)pyrimidin-2(3H)-one, 1,3-diethyl-4,5-dimethyl-7-phenyl-, hydrochloride, hemihydrate
CID 3054113
1H-Pyrrolo(3,4-d)pyrimidin-2(3H)-one, 1,3-diethyl-4,7-diphenyl-5-methyl-, hydrochloride
CID 3054115
1-Benzylpyrimidin-2-one
CID 295903
1-Methyl-6-phenyl-4-(trifluoromethyl)pyrimidin-2-one
CID 154488042
3-ethyl-4-methyl-5-phenyl-1H-imidazol-2-one
CID 21856650
1-Benzyl-3,4-dimethylimidazol-2-one
CID 85551230
1,4-Dimethyl-6-phenylpyrimidin-2(1H)-one
CID 12596967

Frequently Asked Questions

What is the IUPAC name of 1-benzylcyclohepta[d]imidazol-2-one?
The IUPAC name of 1-benzylcyclohepta[d]imidazol-2-one (CID 9689) is 1-benzylcyclohepta[d]imidazol-2-one.
What is the SMILES notation for 1-benzylcyclohepta[d]imidazol-2-one?
The canonical SMILES for 1-benzylcyclohepta[d]imidazol-2-one is O=c1nc2cccccc-2n1Cc1ccccc1.
What is the InChIKey of 1-benzylcyclohepta[d]imidazol-2-one?
The InChIKey is PUDJZXFLQHLFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O/c18-15-16-13-9-5-2-6-10-14(13)17(15)11-12-7-3-1-4-8-12/h1-10H,11H2.
What are the key properties of 1-benzylcyclohepta[d]imidazol-2-one?
1-benzylcyclohepta[d]imidazol-2-one has a molecular weight of 236.27 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylcyclohepta[d]imidazol-2-one is sourced from PubChem (CID 9689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).