[4-(4-ethylphenyl)-2-methyl-1H-imidazol-5-yl]methanamine

C13H17N3 — CID 82284727

IUPAC[4-(4-ethylphenyl)-2-methyl-1H-imidazol-5-yl]methanamine
SMILESCCc1ccc(-c2nc(C)[nH]c2CN)cc1
InChIInChI=1S/C13H17N3/c1-3-10-4-6-11(7-5-10)13-12(8-14)15-9(2)16-13/h4-7H,3,8,14H2,1-2H3,(H,15,16)
InChIKeyQGGUKKOSBCZAON-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.41
Rot. Bonds3

About [4-(4-ethylphenyl)-2-methyl-1H-imidazol-5-yl]methanamine

[4-(4-ethylphenyl)-2-methyl-1H-imidazol-5-yl]methanamine (PubChem CID 82284727) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is [4-(4-ethylphenyl)-2-methyl-1H-imidazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-(4-ethylphenyl)-2-methyl-1H-imidazol-5-yl]methanamine
PubChem CID82284727
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name[4-(4-ethylphenyl)-2-methyl-1H-imidazol-5-yl]methanamine
SMILESCCc1ccc(-c2nc(C)[nH]c2CN)cc1
InChIInChI=1S/C13H17N3/c1-3-10-4-6-11(7-5-10)13-12(8-14)15-9(2)16-13/h4-7H,3,8,14H2,1-2H3,(H,15,16)
InChIKeyQGGUKKOSBCZAON-UHFFFAOYSA-N
XLogP2.41
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(5-ethyl-2-methyl-1H-imidazol-4-yl)phenol
CID 105454397
2-[4-(4-fluorophenyl)-2-methyl-1H-imidazol-5-yl]ethanamine
CID 82285806
[4-[4-(2-methylpropyl)phenyl]-2-propan-2-yl-1H-imidazol-5-yl]methanamine
CID 95474586
(2-methyl-4-thiophen-2-yl-1H-imidazol-5-yl)methanamine
CID 82281661
2-[4-(4-ethylphenyl)-5-methyl-1H-imidazol-2-yl]pentan-1-amine
CID 65231043
[4-(4-ethylphenyl)-5-propan-2-yl-1,3-thiazol-2-yl]methanamine
CID 39360934
[3-(4-ethylphenyl)-5-methyl-1,2-oxazol-4-yl]methanamine
CID 82127036
[2-(4-ethylphenyl)-4,6-dimethylpyrimidin-5-yl]methanamine
CID 62746651
[4-(4-ethylphenyl)phenyl]methanamine;hydrochloride
CID 178203189
[2-(4-ethylphenyl)-3-methylimidazo[1,2-a]pyridin-6-yl]methanamine
CID 79021086
4-(4-methoxyphenyl)-2-methyl-5-tetradecyl-1H-imidazole
CID 59109639
[4-(aminomethyl)-2-methyl-1H-imidazol-5-yl]methanamine
CID 55289219

Frequently Asked Questions

What is the IUPAC name of [4-(4-ethylphenyl)-2-methyl-1H-imidazol-5-yl]methanamine?
The IUPAC name of [4-(4-ethylphenyl)-2-methyl-1H-imidazol-5-yl]methanamine (CID 82284727) is [4-(4-ethylphenyl)-2-methyl-1H-imidazol-5-yl]methanamine.
What is the SMILES notation for [4-(4-ethylphenyl)-2-methyl-1H-imidazol-5-yl]methanamine?
The canonical SMILES for [4-(4-ethylphenyl)-2-methyl-1H-imidazol-5-yl]methanamine is CCc1ccc(-c2nc(C)[nH]c2CN)cc1.
What is the InChIKey of [4-(4-ethylphenyl)-2-methyl-1H-imidazol-5-yl]methanamine?
The InChIKey is QGGUKKOSBCZAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-3-10-4-6-11(7-5-10)13-12(8-14)15-9(2)16-13/h4-7H,3,8,14H2,1-2H3,(H,15,16).
What are the key properties of [4-(4-ethylphenyl)-2-methyl-1H-imidazol-5-yl]methanamine?
[4-(4-ethylphenyl)-2-methyl-1H-imidazol-5-yl]methanamine has a molecular weight of 215.30 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-ethylphenyl)-2-methyl-1H-imidazol-5-yl]methanamine is sourced from PubChem (CID 82284727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).