5-benzyl-1H-imidazole

C10H10N2 — CID 594090

IUPAC5-benzyl-1H-imidazole
SMILESc1ccc(Cc2cnc[nH]2)cc1
InChIInChI=1S/C10H10N2/c1-2-4-9(5-3-1)6-10-7-11-8-12-10/h1-5,7-8H,6H2,(H,11,12)
InChIKeyHREUGOAZLRNTEM-UHFFFAOYSA-N
MW158.20 g/mol
LogP2.00
Rot. Bonds2

About 5-benzyl-1H-imidazole

5-benzyl-1H-imidazole (PubChem CID 594090) has the molecular formula C10H10N2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 5-benzyl-1H-imidazole.

Molecular Properties

Compound Name5-benzyl-1H-imidazole
PubChem CID594090
Molecular FormulaC10H10N2
Molecular Weight158.20 g/mol
Exact Mass158.08
IUPAC Name5-benzyl-1H-imidazole
SMILESc1ccc(Cc2cnc[nH]2)cc1
InChIInChI=1S/C10H10N2/c1-2-4-9(5-3-1)6-10-7-11-8-12-10/h1-5,7-8H,6H2,(H,11,12)
InChIKeyHREUGOAZLRNTEM-UHFFFAOYSA-N
XLogP2.00
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-1H-imidazole?
The IUPAC name of 5-benzyl-1H-imidazole (CID 594090) is 5-benzyl-1H-imidazole.
What is the SMILES notation for 5-benzyl-1H-imidazole?
The canonical SMILES for 5-benzyl-1H-imidazole is c1ccc(Cc2cnc[nH]2)cc1.
What is the InChIKey of 5-benzyl-1H-imidazole?
The InChIKey is HREUGOAZLRNTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2/c1-2-4-9(5-3-1)6-10-7-11-8-12-10/h1-5,7-8H,6H2,(H,11,12).
What are the key properties of 5-benzyl-1H-imidazole?
5-benzyl-1H-imidazole has a molecular weight of 158.20 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-1H-imidazole is sourced from PubChem (CID 594090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).