1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(4-methylphenyl)methanone

C17H15N3O — CID 791787

IUPAC1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCn3c2nc2ccccc23)cc1
InChIInChI=1S/C17H15N3O/c1-12-6-8-13(9-7-12)16(21)20-11-10-19-15-5-3-2-4-14(15)18-17(19)20/h2-9H,10-11H2,1H3
InChIKeySOEGPKYVSYCCFY-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.01
Rot. Bonds1

About 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(4-methylphenyl)methanone

1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(4-methylphenyl)methanone (PubChem CID 791787) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(4-methylphenyl)methanone.

Molecular Properties

Compound Name1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(4-methylphenyl)methanone
PubChem CID791787
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCn3c2nc2ccccc23)cc1
InChIInChI=1S/C17H15N3O/c1-12-6-8-13(9-7-12)16(21)20-11-10-19-15-5-3-2-4-14(15)18-17(19)20/h2-9H,10-11H2,1H3
InChIKeySOEGPKYVSYCCFY-UHFFFAOYSA-N
XLogP3.01
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-tert-butylphenyl)-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone
CID 2435970
4-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)-N,N-diethylbenzenesulfonamide
CID 25345819
1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanone
CID 36567968
[4-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)-3-nitrophenyl]-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone
CID 166188422
1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 90602015
(2,4-dichlorophenyl)-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone
CID 975542
1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(7-fluoro-3-methyl-1-benzofuran-2-yl)methanone
CID 36566276
(2S)-2-amino-1-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-3-methylbutan-1-one;hydrochloride
CID 119265449
(3-chlorophenyl)-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)methanone
CID 66504605
(2-ethylbenzimidazol-1-yl)-(4-methylphenyl)methanone
CID 177379362
(2-chlorophenyl)-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)methanone
CID 66504683
1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(2,4-diphenyl-1,3-thiazol-5-yl)methanone
CID 112813260

Frequently Asked Questions

What is the IUPAC name of 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(4-methylphenyl)methanone?
The IUPAC name of 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(4-methylphenyl)methanone (CID 791787) is 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(4-methylphenyl)methanone.
What is the SMILES notation for 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(4-methylphenyl)methanone?
The canonical SMILES for 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(4-methylphenyl)methanone is Cc1ccc(C(=O)N2CCn3c2nc2ccccc23)cc1.
What is the InChIKey of 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(4-methylphenyl)methanone?
The InChIKey is SOEGPKYVSYCCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-12-6-8-13(9-7-12)16(21)20-11-10-19-15-5-3-2-4-14(15)18-17(19)20/h2-9H,10-11H2,1H3.
What are the key properties of 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(4-methylphenyl)methanone?
1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(4-methylphenyl)methanone has a molecular weight of 277.33 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(4-methylphenyl)methanone is sourced from PubChem (CID 791787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).