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

C12H15N3 — CID 82506290

IUPAC[1-(2-ethylphenyl)imidazol-4-yl]methanamine
SMILESCCc1ccccc1-n1cnc(CN)c1
InChIInChI=1S/C12H15N3/c1-2-10-5-3-4-6-12(10)15-8-11(7-13)14-9-15/h3-6,8-9H,2,7,13H2,1H3
InChIKeyMBUMVDBSPPRPQZ-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.89
Rot. Bonds3

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

[1-(2-ethylphenyl)imidazol-4-yl]methanamine (PubChem CID 82506290) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is [1-(2-ethylphenyl)imidazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(2-ethylphenyl)imidazol-4-yl]methanamine
PubChem CID82506290
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name[1-(2-ethylphenyl)imidazol-4-yl]methanamine
SMILESCCc1ccccc1-n1cnc(CN)c1
InChIInChI=1S/C12H15N3/c1-2-10-5-3-4-6-12(10)15-8-11(7-13)14-9-15/h3-6,8-9H,2,7,13H2,1H3
InChIKeyMBUMVDBSPPRPQZ-UHFFFAOYSA-N
XLogP1.89
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-ethylphenyl)imidazol-4-yl]methanol
CID 99990399
[1-(2-fluorophenyl)imidazol-4-yl]methanamine
CID 82468834
[1-(2-methoxyphenyl)imidazol-4-yl]methanamine
CID 82469793
2-[1-(2-chlorophenyl)imidazol-4-yl]ethanamine
CID 82472942
2-[4-(aminomethyl)imidazol-1-yl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 110121889
2-[1-(2-methoxyphenyl)imidazol-4-yl]ethanamine
CID 82471834
2-[4-(aminomethyl)imidazol-1-yl]-N-[(1R)-1-phenylethyl]benzamide
CID 110121933
2-[4-(aminomethyl)imidazol-1-yl]-N-(cyclopropylmethyl)benzamide
CID 110121898
2-[4-(aminomethyl)imidazol-1-yl]-N-(pyridin-2-ylmethyl)benzamide
CID 110121856
[1-(2-methylphenyl)imidazol-4-yl]methanol
CID 70502575
2-[1-(2-fluorophenyl)imidazol-4-yl]acetic acid
CID 82472522
[1-(2,5-difluorophenyl)imidazol-4-yl]methanamine
CID 82507740

Frequently Asked Questions

What is the IUPAC name of [1-(2-ethylphenyl)imidazol-4-yl]methanamine?
The IUPAC name of [1-(2-ethylphenyl)imidazol-4-yl]methanamine (CID 82506290) is [1-(2-ethylphenyl)imidazol-4-yl]methanamine.
What is the SMILES notation for [1-(2-ethylphenyl)imidazol-4-yl]methanamine?
The canonical SMILES for [1-(2-ethylphenyl)imidazol-4-yl]methanamine is CCc1ccccc1-n1cnc(CN)c1.
What is the InChIKey of [1-(2-ethylphenyl)imidazol-4-yl]methanamine?
The InChIKey is MBUMVDBSPPRPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-2-10-5-3-4-6-12(10)15-8-11(7-13)14-9-15/h3-6,8-9H,2,7,13H2,1H3.
What are the key properties of [1-(2-ethylphenyl)imidazol-4-yl]methanamine?
[1-(2-ethylphenyl)imidazol-4-yl]methanamine has a molecular weight of 201.27 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-ethylphenyl)imidazol-4-yl]methanamine is sourced from PubChem (CID 82506290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).