1-benzyl-3-methyl-2H-imidazole

C11H14N2 — CID 18674614

IUPAC1-benzyl-3-methyl-2H-imidazole
SMILESCN1C=CN(Cc2ccccc2)C1
InChIInChI=1S/C11H14N2/c1-12-7-8-13(10-12)9-11-5-3-2-4-6-11/h2-8H,9-10H2,1H3
InChIKeyMNYOKDIIUJDYBM-UHFFFAOYSA-N
MW174.25 g/mol
LogP1.86
Rot. Bonds2

About 1-benzyl-3-methyl-2H-imidazole

1-benzyl-3-methyl-2H-imidazole (PubChem CID 18674614) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 1-benzyl-3-methyl-2H-imidazole.

Molecular Properties

Compound Name1-benzyl-3-methyl-2H-imidazole
PubChem CID18674614
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name1-benzyl-3-methyl-2H-imidazole
SMILESCN1C=CN(Cc2ccccc2)C1
InChIInChI=1S/C11H14N2/c1-12-7-8-13(10-12)9-11-5-3-2-4-6-11/h2-8H,9-10H2,1H3
InChIKeyMNYOKDIIUJDYBM-UHFFFAOYSA-N
XLogP1.86
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[(3-methyl-2H-imidazol-1-yl)methyl]phenyl]-phenyldiazene
CID 139444730
1-benzyl-3-phenyl-2H-imidazole;dihydrobromide
CID 174997401
1-[(4-ethenylphenyl)methyl]-3-methyl-2H-imidazole
CID 23106819
trihydroxy-[4-[(3-methyl-2H-imidazol-1-yl)methyl]phenyl]silane
CID 58330288
1-benzyl-3-decyl-2H-imidazole
CID 69393600
1-benzyl-3-[(4-bromophenyl)methyl]-2H-imidazole
CID 58478707
1-benzyl-3-[(4-bromophenyl)methyl]-2H-imidazole bromide
CID 162319064
1-(anthracen-9-ylmethyl)-3-methyl-2H-imidazole
CID 71391540
1-benzyl-3-[3-(3-benzyl-2H-imidazol-1-yl)phenyl]-2H-imidazole;dihydrobromide
CID 175897383
1-methyl-3-[(2,3,4,5,6-pentamethylphenyl)methyl]-2H-imidazole
CID 101475432
1-benzyl-3-ethenyl-2H-imidazole;hydrobromide
CID 175370987
1-benzyl-3-methyl-2,3-dihydropyrrole
CID 152546116

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-methyl-2H-imidazole?
The IUPAC name of 1-benzyl-3-methyl-2H-imidazole (CID 18674614) is 1-benzyl-3-methyl-2H-imidazole.
What is the SMILES notation for 1-benzyl-3-methyl-2H-imidazole?
The canonical SMILES for 1-benzyl-3-methyl-2H-imidazole is CN1C=CN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-3-methyl-2H-imidazole?
The InChIKey is MNYOKDIIUJDYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-12-7-8-13(10-12)9-11-5-3-2-4-6-11/h2-8H,9-10H2,1H3.
What are the key properties of 1-benzyl-3-methyl-2H-imidazole?
1-benzyl-3-methyl-2H-imidazole has a molecular weight of 174.25 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-methyl-2H-imidazole is sourced from PubChem (CID 18674614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).