(3R)-3-[(4-methylphenyl)methyl]-2,3-dihydroimidazo[1,5-a]benzimidazol-1-one

C17H15N3O — CID 121471369

IUPAC(3R)-3-[(4-methylphenyl)methyl]-2,3-dihydroimidazo[1,5-a]benzimidazol-1-one
SMILESCc1ccc(C[C@H]2NC(=O)n3c2nc2ccccc23)cc1
InChIInChI=1S/C17H15N3O/c1-11-6-8-12(9-7-11)10-14-16-18-13-4-2-3-5-15(13)20(16)17(21)19-14/h2-9,14H,10H2,1H3,(H,19,21)/t14-/m1/s1
InChIKeyXOIYEKPPYRZKFM-CQSZACIVSA-N
MW277.33 g/mol
LogP3.20
Rot. Bonds2

About (3R)-3-[(4-methylphenyl)methyl]-2,3-dihydroimidazo[1,5-a]benzimidazol-1-one

(3R)-3-[(4-methylphenyl)methyl]-2,3-dihydroimidazo[1,5-a]benzimidazol-1-one (PubChem CID 121471369) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is (3R)-3-[(4-methylphenyl)methyl]-2,3-dihydroimidazo[1,5-a]benzimidazol-1-one.

Molecular Properties

Compound Name(3R)-3-[(4-methylphenyl)methyl]-2,3-dihydroimidazo[1,5-a]benzimidazol-1-one
PubChem CID121471369
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name(3R)-3-[(4-methylphenyl)methyl]-2,3-dihydroimidazo[1,5-a]benzimidazol-1-one
SMILESCc1ccc(C[C@H]2NC(=O)n3c2nc2ccccc23)cc1
InChIInChI=1S/C17H15N3O/c1-11-6-8-12(9-7-11)10-14-16-18-13-4-2-3-5-15(13)20(16)17(21)19-14/h2-9,14H,10H2,1H3,(H,19,21)/t14-/m1/s1
InChIKeyXOIYEKPPYRZKFM-CQSZACIVSA-N
XLogP3.20
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-3-[(4-methylphenyl)methyl]-2,3-dihydroimidazo[1,5-a]benzimidazol-1-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

3-[(2,3,5,6-tetrafluoro-4-methoxyphenyl)methyl]-2,3-dihydroimidazo[1,5-a]benzimidazol-1-one
CID 121471074
(2S)-2-[(4-methylphenyl)methyl]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 947701
5-[(4-methoxyphenyl)methyl]-2,4,7,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraen-3-one
CID 121471746
(1S,4S)-1-[(4-methylphenyl)methyl]-4-propan-2-yl-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione
CID 23249759
2-cyclobutyl-1-(4-methylphenyl)benzimidazole
CID 7996379
10-[(4-hydroxyphenyl)methyl]-15-methyl-1,3,9,12-tetrazatetracyclo[9.8.0.02,7.013,18]nonadeca-2(7),3,5,11,13(18),14,16-heptaene-8,19-dione
CID 46904349
3-methyl-1-[(4-methylphenyl)methyl]quinoxalin-2-one
CID 13170889
(4S)-4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 40728257
(1S,4S)-1-benzyl-4-methyl-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione
CID 23249754
3-(2-methylsulfanylethyl)-2,3-dihydroimidazo[1,5-a]benzimidazole-1-thione
CID 16642156
(4R)-1-(4-methylphenyl)-4-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40504930
1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethanone
CID 11715904

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(4-methylphenyl)methyl]-2,3-dihydroimidazo[1,5-a]benzimidazol-1-one?
The IUPAC name of (3R)-3-[(4-methylphenyl)methyl]-2,3-dihydroimidazo[1,5-a]benzimidazol-1-one (CID 121471369) is (3R)-3-[(4-methylphenyl)methyl]-2,3-dihydroimidazo[1,5-a]benzimidazol-1-one.
What is the SMILES notation for (3R)-3-[(4-methylphenyl)methyl]-2,3-dihydroimidazo[1,5-a]benzimidazol-1-one?
The canonical SMILES for (3R)-3-[(4-methylphenyl)methyl]-2,3-dihydroimidazo[1,5-a]benzimidazol-1-one is Cc1ccc(C[C@H]2NC(=O)n3c2nc2ccccc23)cc1.
What is the InChIKey of (3R)-3-[(4-methylphenyl)methyl]-2,3-dihydroimidazo[1,5-a]benzimidazol-1-one?
The InChIKey is XOIYEKPPYRZKFM-CQSZACIVSA-N. The full InChI is InChI=1S/C17H15N3O/c1-11-6-8-12(9-7-11)10-14-16-18-13-4-2-3-5-15(13)20(16)17(21)19-14/h2-9,14H,10H2,1H3,(H,19,21)/t14-/m1/s1.
What are the key properties of (3R)-3-[(4-methylphenyl)methyl]-2,3-dihydroimidazo[1,5-a]benzimidazol-1-one?
(3R)-3-[(4-methylphenyl)methyl]-2,3-dihydroimidazo[1,5-a]benzimidazol-1-one has a molecular weight of 277.33 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(4-methylphenyl)methyl]-2,3-dihydroimidazo[1,5-a]benzimidazol-1-one is sourced from PubChem (CID 121471369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).