4-[(2-methylphenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole

C17H17N3 — CID 659458

IUPAC4-[(2-methylphenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole
SMILESCc1ccccc1CN1C2=NCCN2c2ccccc21
InChIInChI=1S/C17H17N3/c1-13-6-2-3-7-14(13)12-20-16-9-5-4-8-15(16)19-11-10-18-17(19)20/h2-9H,10-12H2,1H3
InChIKeyOEORBNXVHHAFKX-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.19
Rot. Bonds2

About 4-[(2-methylphenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole

4-[(2-methylphenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole (PubChem CID 659458) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-[(2-methylphenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole.

Molecular Properties

Compound Name4-[(2-methylphenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole
PubChem CID659458
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name4-[(2-methylphenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole
SMILESCc1ccccc1CN1C2=NCCN2c2ccccc21
InChIInChI=1S/C17H17N3/c1-13-6-2-3-7-14(13)12-20-16-9-5-4-8-15(16)19-11-10-18-17(19)20/h2-9H,10-12H2,1H3
InChIKeyOEORBNXVHHAFKX-UHFFFAOYSA-N
XLogP3.19
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-1,2-dihydroimidazo[1,2-a]benzimidazole;hydrochloride
CID 13077473
4-[(4-bromophenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole;hydrobromide
CID 126476477
10-benzyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole
CID 653244
4-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-ylmethyl)benzoic acid;hydrobromide
CID 155555618
4-[(3,4-dichlorophenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole;hydron;chloride
CID 648020
11-benzyl-8-methylidene-7-[(2-methylphenyl)methyl]-2,5,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5-diene
CID 155150532
11-benzyl-7-[(2-methylphenyl)methyl]-2,5,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5-dien-8-one;hydrochloride
CID 139034740
2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-1-(4-methylphenyl)ethanone
CID 2980042
(2S)-1-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-3,3-dimethylbutan-2-ol
CID 717649
11-[(4-aminophenyl)methyl]-7-[(2-methylphenyl)methyl]-2,5,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5-dien-8-one
CID 169060289
10-ethyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride
CID 6603340
10-[(4-phenylphenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole
CID 155569158

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylphenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole?
The IUPAC name of 4-[(2-methylphenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole (CID 659458) is 4-[(2-methylphenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole.
What is the SMILES notation for 4-[(2-methylphenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole?
The canonical SMILES for 4-[(2-methylphenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole is Cc1ccccc1CN1C2=NCCN2c2ccccc21.
What is the InChIKey of 4-[(2-methylphenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole?
The InChIKey is OEORBNXVHHAFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-13-6-2-3-7-14(13)12-20-16-9-5-4-8-15(16)19-11-10-18-17(19)20/h2-9H,10-12H2,1H3.
What are the key properties of 4-[(2-methylphenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole?
4-[(2-methylphenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole has a molecular weight of 263.34 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylphenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole is sourced from PubChem (CID 659458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).