4-benzyl-4H-imidazole

C10H10N2 — CID 20682296

IUPAC4-benzyl-4H-imidazole
SMILESC1=NC=NC1Cc1ccccc1
InChIInChI=1S/C10H10N2/c1-2-4-9(5-3-1)6-10-7-11-8-12-10/h1-5,7-8,10H,6H2
InChIKeyAVURGMGVEQZAPB-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.71
Rot. Bonds2

About 4-benzyl-4H-imidazole

4-benzyl-4H-imidazole (PubChem CID 20682296) has the molecular formula C10H10N2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 4-benzyl-4H-imidazole.

Molecular Properties

Compound Name4-benzyl-4H-imidazole
PubChem CID20682296
Molecular FormulaC10H10N2
Molecular Weight158.20 g/mol
Exact Mass158.08
IUPAC Name4-benzyl-4H-imidazole
SMILESC1=NC=NC1Cc1ccccc1
InChIInChI=1S/C10H10N2/c1-2-4-9(5-3-1)6-10-7-11-8-12-10/h1-5,7-8,10H,6H2
InChIKeyAVURGMGVEQZAPB-UHFFFAOYSA-N
XLogP1.71
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-4H-imidazole?
The IUPAC name of 4-benzyl-4H-imidazole (CID 20682296) is 4-benzyl-4H-imidazole.
What is the SMILES notation for 4-benzyl-4H-imidazole?
The canonical SMILES for 4-benzyl-4H-imidazole is C1=NC=NC1Cc1ccccc1.
What is the InChIKey of 4-benzyl-4H-imidazole?
The InChIKey is AVURGMGVEQZAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2/c1-2-4-9(5-3-1)6-10-7-11-8-12-10/h1-5,7-8,10H,6H2.
What are the key properties of 4-benzyl-4H-imidazole?
4-benzyl-4H-imidazole has a molecular weight of 158.20 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-4H-imidazole is sourced from PubChem (CID 20682296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).