2-(1-benzyl-5-methylimidazol-4-yl)ethanamine

C13H17N3 — CID 14375242

IUPAC2-(1-benzyl-5-methylimidazol-4-yl)ethanamine
SMILESCc1c(CCN)ncn1Cc1ccccc1
InChIInChI=1S/C13H17N3/c1-11-13(7-8-14)15-10-16(11)9-12-5-3-2-4-6-12/h2-6,10H,7-9,14H2,1H3
InChIKeyFVFRDJJFJSQVTE-UHFFFAOYSA-N
MW215.30 g/mol
LogP1.74
Rot. Bonds4

About 2-(1-benzyl-5-methylimidazol-4-yl)ethanamine

2-(1-benzyl-5-methylimidazol-4-yl)ethanamine (PubChem CID 14375242) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-(1-benzyl-5-methylimidazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(1-benzyl-5-methylimidazol-4-yl)ethanamine
PubChem CID14375242
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name2-(1-benzyl-5-methylimidazol-4-yl)ethanamine
SMILESCc1c(CCN)ncn1Cc1ccccc1
InChIInChI=1S/C13H17N3/c1-11-13(7-8-14)15-10-16(11)9-12-5-3-2-4-6-12/h2-6,10H,7-9,14H2,1H3
InChIKeyFVFRDJJFJSQVTE-UHFFFAOYSA-N
XLogP1.74
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzyl-5-ethylimidazol-4-amine
CID 58192367
2-(1,5-dimethylimidazol-4-yl)ethanamine
CID 573597
2-(3-benzylimidazol-4-yl)ethanamine
CID 19417806
[3-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]methanamine
CID 62350541
3-benzyl-5-ethylimidazole-4-carboxylic acid
CID 130117883
3-benzyl-5-(2,6-difluorophenyl)imidazol-4-amine
CID 62019787
1-benzyl-7-methylbenzimidazole
CID 10933051
2-[1-benzyl-5-(4-methylphenyl)pyrazol-3-yl]ethanamine
CID 82072030
1-[(3-chlorophenyl)methyl]-4,5-dimethylimidazole
CID 115624826
1-benzyl-5-methylbenzimidazole
CID 12620837
3-benzyl-5-bromo-6-methylpyrimidin-4-one
CID 66308961
1-benzyl-2-methylimidazole
CID 158634472

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-5-methylimidazol-4-yl)ethanamine?
The IUPAC name of 2-(1-benzyl-5-methylimidazol-4-yl)ethanamine (CID 14375242) is 2-(1-benzyl-5-methylimidazol-4-yl)ethanamine.
What is the SMILES notation for 2-(1-benzyl-5-methylimidazol-4-yl)ethanamine?
The canonical SMILES for 2-(1-benzyl-5-methylimidazol-4-yl)ethanamine is Cc1c(CCN)ncn1Cc1ccccc1.
What is the InChIKey of 2-(1-benzyl-5-methylimidazol-4-yl)ethanamine?
The InChIKey is FVFRDJJFJSQVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-11-13(7-8-14)15-10-16(11)9-12-5-3-2-4-6-12/h2-6,10H,7-9,14H2,1H3.
What are the key properties of 2-(1-benzyl-5-methylimidazol-4-yl)ethanamine?
2-(1-benzyl-5-methylimidazol-4-yl)ethanamine has a molecular weight of 215.30 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-5-methylimidazol-4-yl)ethanamine is sourced from PubChem (CID 14375242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).