3-benzyl-1,2-dihydroimidazole

C10H12N2 — CID 67392024

IUPAC3-benzyl-1,2-dihydroimidazole
SMILESC1=CN(Cc2ccccc2)CN1
InChIInChI=1S/C10H12N2/c1-2-4-10(5-3-1)8-12-7-6-11-9-12/h1-7,11H,8-9H2
InChIKeyKHQZGFSAEWKKFZ-UHFFFAOYSA-N
MW160.22 g/mol
LogP1.52
Rot. Bonds2

About 3-benzyl-1,2-dihydroimidazole

3-benzyl-1,2-dihydroimidazole (PubChem CID 67392024) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 3-benzyl-1,2-dihydroimidazole.

Molecular Properties

Compound Name3-benzyl-1,2-dihydroimidazole
PubChem CID67392024
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name3-benzyl-1,2-dihydroimidazole
SMILESC1=CN(Cc2ccccc2)CN1
InChIInChI=1S/C10H12N2/c1-2-4-10(5-3-1)8-12-7-6-11-9-12/h1-7,11H,8-9H2
InChIKeyKHQZGFSAEWKKFZ-UHFFFAOYSA-N
XLogP1.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-fluorophenyl)methyl]-1,2-dihydroimidazole
CID 175147591
2-(1,2-dihydroimidazol-3-yl)ethyl-diphenylphosphane
CID 135015866
N-benzyl-3-(1,2-dihydroimidazol-3-yl)-N-methylpropan-1-amine;ethene
CID 142002633
1-benzyl-1,3-diazetidine
CID 67702530
1-benzyl-3-methyl-2H-imidazole
CID 18674614
1-benzyl-3-[(4-bromophenyl)methyl]-2H-imidazole
CID 58478707
5-(1,2-dihydroimidazol-3-ylmethyl)-2-(3-fluorophenyl)-3-methylpyridine
CID 172802521
1-benzyl-3-phenyl-2H-imidazole;dihydrobromide
CID 174997401
3-benzylimidazolidin-4-one
CID 14175562
1-benzyl-3-methyl-2,3-dihydropyrrole
CID 152546116
1-benzyl-3-[(4-bromophenyl)methyl]-2H-imidazole bromide
CID 162319064
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1,2-dihydroimidazole?
The IUPAC name of 3-benzyl-1,2-dihydroimidazole (CID 67392024) is 3-benzyl-1,2-dihydroimidazole.
What is the SMILES notation for 3-benzyl-1,2-dihydroimidazole?
The canonical SMILES for 3-benzyl-1,2-dihydroimidazole is C1=CN(Cc2ccccc2)CN1.
What is the InChIKey of 3-benzyl-1,2-dihydroimidazole?
The InChIKey is KHQZGFSAEWKKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-2-4-10(5-3-1)8-12-7-6-11-9-12/h1-7,11H,8-9H2.
What are the key properties of 3-benzyl-1,2-dihydroimidazole?
3-benzyl-1,2-dihydroimidazole has a molecular weight of 160.22 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1,2-dihydroimidazole is sourced from PubChem (CID 67392024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).