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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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).