[4-(2-methylimidazol-1-yl)phenyl]methanamine

C11H13N3 — CID 4913134

IUPAC[4-(2-methylimidazol-1-yl)phenyl]methanamine
SMILESCc1nccn1-c1ccc(CN)cc1
InChIInChI=1S/C11H13N3/c1-9-13-6-7-14(9)11-4-2-10(8-12)3-5-11/h2-7H,8,12H2,1H3
InChIKeyJOMOQABDRBJMDQ-UHFFFAOYSA-N
MW187.25 g/mol
LogP1.64
Rot. Bonds2

About [4-(2-methylimidazol-1-yl)phenyl]methanamine

[4-(2-methylimidazol-1-yl)phenyl]methanamine (PubChem CID 4913134) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is [4-(2-methylimidazol-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(2-methylimidazol-1-yl)phenyl]methanamine
PubChem CID4913134
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name[4-(2-methylimidazol-1-yl)phenyl]methanamine
SMILESCc1nccn1-c1ccc(CN)cc1
InChIInChI=1S/C11H13N3/c1-9-13-6-7-14(9)11-4-2-10(8-12)3-5-11/h2-7H,8,12H2,1H3
InChIKeyJOMOQABDRBJMDQ-UHFFFAOYSA-N
XLogP1.64
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 ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Benzylimidazole
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Trim
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1-Phenylimidazole
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3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline
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4-(2-methyl-1H-imidazol-1-yl)aniline
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3-(1H-Imidazol-1-ylmethyl)aniline
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1-Benzyl-3-methylimidazolium Chloride
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Efetozole
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1-Benzyl-3-cetyl-2-methylimidazolium iodide
CID 10436839
4-(1H-imidazol-1-yl)aniline
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Frequently Asked Questions

What is the IUPAC name of [4-(2-methylimidazol-1-yl)phenyl]methanamine?
The IUPAC name of [4-(2-methylimidazol-1-yl)phenyl]methanamine (CID 4913134) is [4-(2-methylimidazol-1-yl)phenyl]methanamine.
What is the SMILES notation for [4-(2-methylimidazol-1-yl)phenyl]methanamine?
The canonical SMILES for [4-(2-methylimidazol-1-yl)phenyl]methanamine is Cc1nccn1-c1ccc(CN)cc1.
What is the InChIKey of [4-(2-methylimidazol-1-yl)phenyl]methanamine?
The InChIKey is JOMOQABDRBJMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-9-13-6-7-14(9)11-4-2-10(8-12)3-5-11/h2-7H,8,12H2,1H3.
What are the key properties of [4-(2-methylimidazol-1-yl)phenyl]methanamine?
[4-(2-methylimidazol-1-yl)phenyl]methanamine has a molecular weight of 187.25 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylimidazol-1-yl)phenyl]methanamine is sourced from PubChem (CID 4913134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).