4-benzyl-1-methylimidazol-2-amine

C11H13N3 — CID 10607626

IUPAC4-benzyl-1-methylimidazol-2-amine
SMILESCn1cc(Cc2ccccc2)nc1N
InChIInChI=1S/C11H13N3/c1-14-8-10(13-11(14)12)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H2,12,13)
InChIKeyYAKHCCGVRHBRAC-UHFFFAOYSA-N
MW187.25 g/mol
LogP1.59
Rot. Bonds2

About 4-benzyl-1-methylimidazol-2-amine

4-benzyl-1-methylimidazol-2-amine (PubChem CID 10607626) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 4-benzyl-1-methylimidazol-2-amine.

Molecular Properties

Compound Name4-benzyl-1-methylimidazol-2-amine
PubChem CID10607626
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name4-benzyl-1-methylimidazol-2-amine
SMILESCn1cc(Cc2ccccc2)nc1N
InChIInChI=1S/C11H13N3/c1-14-8-10(13-11(14)12)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H2,12,13)
InChIKeyYAKHCCGVRHBRAC-UHFFFAOYSA-N
XLogP1.59
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-methylimidazol-2-amine?
The IUPAC name of 4-benzyl-1-methylimidazol-2-amine (CID 10607626) is 4-benzyl-1-methylimidazol-2-amine.
What is the SMILES notation for 4-benzyl-1-methylimidazol-2-amine?
The canonical SMILES for 4-benzyl-1-methylimidazol-2-amine is Cn1cc(Cc2ccccc2)nc1N.
What is the InChIKey of 4-benzyl-1-methylimidazol-2-amine?
The InChIKey is YAKHCCGVRHBRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-14-8-10(13-11(14)12)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H2,12,13).
What are the key properties of 4-benzyl-1-methylimidazol-2-amine?
4-benzyl-1-methylimidazol-2-amine has a molecular weight of 187.25 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-methylimidazol-2-amine is sourced from PubChem (CID 10607626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).