4-benzyl-7-methoxy-1,2-dihydroimidazo[1,2-a]benzimidazole

C17H17N3O — CID 3808119

IUPAC4-benzyl-7-methoxy-1,2-dihydroimidazo[1,2-a]benzimidazole
SMILESCOc1ccc2c(c1)N1CCN=C1N2Cc1ccccc1
InChIInChI=1S/C17H17N3O/c1-21-14-7-8-15-16(11-14)19-10-9-18-17(19)20(15)12-13-5-3-2-4-6-13/h2-8,11H,9-10,12H2,1H3
InChIKeyQVUZOFRVOWRBKK-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.89
Rot. Bonds3

About 4-benzyl-7-methoxy-1,2-dihydroimidazo[1,2-a]benzimidazole

4-benzyl-7-methoxy-1,2-dihydroimidazo[1,2-a]benzimidazole (PubChem CID 3808119) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-benzyl-7-methoxy-1,2-dihydroimidazo[1,2-a]benzimidazole.

Molecular Properties

Compound Name4-benzyl-7-methoxy-1,2-dihydroimidazo[1,2-a]benzimidazole
PubChem CID3808119
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name4-benzyl-7-methoxy-1,2-dihydroimidazo[1,2-a]benzimidazole
SMILESCOc1ccc2c(c1)N1CCN=C1N2Cc1ccccc1
InChIInChI=1S/C17H17N3O/c1-21-14-7-8-15-16(11-14)19-10-9-18-17(19)20(15)12-13-5-3-2-4-6-13/h2-8,11H,9-10,12H2,1H3
InChIKeyQVUZOFRVOWRBKK-UHFFFAOYSA-N
XLogP2.89
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1H-Benzimidazole, 2,3-dihydro-2-(4-methoxyphenyl)-1,3-dimethyl-
CID 759319
2-(4-ethoxyphenyl)-1,3-dimethyl-2,3-dihydro-1H-benzimidazole
CID 679624
1-[1,3-Bisbenzyl(2,3-dihydrobenzimidazol-2-yl)]-4-methoxybenzene
CID 3116462
6-Methoxy-9-methyl-2,9-dihydro-3H-benzo[d]imidazo[1,2-a]imidazole
CID 6456485
4-[2-(4-Tert-butylphenoxy)ethyl]-1,2-dihydroimidazo[1,2-a]benzimidazole
CID 118710297
4-[[4-(4-Methoxyphenyl)phenyl]methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole
CID 118710317
4-[(4-Phenoxyphenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole
CID 118710319
4-[[4-(Trifluoromethoxy)phenyl]methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole
CID 118710309
3-methyl-6-(3-phenylpropoxy)-1H-benzimidazol-2-one
CID 155516905
3-methyl-5-(3-phenylpropoxy)-1H-benzimidazol-2-one
CID 155538243
3-methyl-5-(2-phenylethoxy)-1H-benzimidazol-2-one
CID 155544507
3-ethyl-5-(3-phenylpropoxy)-1H-benzimidazol-2-one
CID 155557913

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-7-methoxy-1,2-dihydroimidazo[1,2-a]benzimidazole?
The IUPAC name of 4-benzyl-7-methoxy-1,2-dihydroimidazo[1,2-a]benzimidazole (CID 3808119) is 4-benzyl-7-methoxy-1,2-dihydroimidazo[1,2-a]benzimidazole.
What is the SMILES notation for 4-benzyl-7-methoxy-1,2-dihydroimidazo[1,2-a]benzimidazole?
The canonical SMILES for 4-benzyl-7-methoxy-1,2-dihydroimidazo[1,2-a]benzimidazole is COc1ccc2c(c1)N1CCN=C1N2Cc1ccccc1.
What is the InChIKey of 4-benzyl-7-methoxy-1,2-dihydroimidazo[1,2-a]benzimidazole?
The InChIKey is QVUZOFRVOWRBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-21-14-7-8-15-16(11-14)19-10-9-18-17(19)20(15)12-13-5-3-2-4-6-13/h2-8,11H,9-10,12H2,1H3.
What are the key properties of 4-benzyl-7-methoxy-1,2-dihydroimidazo[1,2-a]benzimidazole?
4-benzyl-7-methoxy-1,2-dihydroimidazo[1,2-a]benzimidazole has a molecular weight of 279.34 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-7-methoxy-1,2-dihydroimidazo[1,2-a]benzimidazole is sourced from PubChem (CID 3808119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).