4-[2-(2-aminoethyl)-5-methyl-1H-imidazol-4-yl]phenol

C12H15N3O — CID 105471255

IUPAC4-[2-(2-aminoethyl)-5-methyl-1H-imidazol-4-yl]phenol
SMILESCc1[nH]c(CCN)nc1-c1ccc(O)cc1
InChIInChI=1S/C12H15N3O/c1-8-12(15-11(14-8)6-7-13)9-2-4-10(16)5-3-9/h2-5,16H,6-7,13H2,1H3,(H,14,15)
InChIKeyOKJSUPWSGZRXQF-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.59
Rot. Bonds3

About 4-[2-(2-aminoethyl)-5-methyl-1H-imidazol-4-yl]phenol

4-[2-(2-aminoethyl)-5-methyl-1H-imidazol-4-yl]phenol (PubChem CID 105471255) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 4-[2-(2-aminoethyl)-5-methyl-1H-imidazol-4-yl]phenol.

Molecular Properties

Compound Name4-[2-(2-aminoethyl)-5-methyl-1H-imidazol-4-yl]phenol
PubChem CID105471255
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name4-[2-(2-aminoethyl)-5-methyl-1H-imidazol-4-yl]phenol
SMILESCc1[nH]c(CCN)nc1-c1ccc(O)cc1
InChIInChI=1S/C12H15N3O/c1-8-12(15-11(14-8)6-7-13)9-2-4-10(16)5-3-9/h2-5,16H,6-7,13H2,1H3,(H,14,15)
InChIKeyOKJSUPWSGZRXQF-UHFFFAOYSA-N
XLogP1.59
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(hydroxymethyl)-5-methyl-1H-imidazol-4-yl]phenol
CID 105456043
3-[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]propan-1-amine
CID 43650829
5-[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]pentan-1-amine
CID 43651177
2-[4-(3-bromophenyl)-5-methyl-1H-imidazol-2-yl]ethanamine
CID 82489288
[4-(4-fluorophenyl)-5-methyl-1H-imidazol-2-yl]methanamine
CID 43649221
(5-methyl-4-phenyl-1H-imidazol-2-yl)methanamine
CID 43649240
4-[2-(aminomethyl)-5-methyl-1H-imidazol-4-yl]-N,N-dimethylaniline
CID 82474486
2-[4-(5-fluoro-2-pyridinyl)-5-methyl-1H-imidazol-2-yl]ethanamine
CID 112585736
3-(5-methyl-4-phenyl-1H-imidazol-2-yl)propanoic acid
CID 82474293
2-[5-methyl-4-(2-methyl-5-propan-2-ylphenyl)-1H-imidazol-2-yl]ethanamine
CID 82483196
2-[5-methyl-4-(4-phenylphenyl)-1H-imidazol-2-yl]ethylcarbamic acid
CID 68888401
3-[4-(3-bromophenyl)-5-methyl-1H-imidazol-2-yl]propan-1-amine
CID 114079195

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-aminoethyl)-5-methyl-1H-imidazol-4-yl]phenol?
The IUPAC name of 4-[2-(2-aminoethyl)-5-methyl-1H-imidazol-4-yl]phenol (CID 105471255) is 4-[2-(2-aminoethyl)-5-methyl-1H-imidazol-4-yl]phenol.
What is the SMILES notation for 4-[2-(2-aminoethyl)-5-methyl-1H-imidazol-4-yl]phenol?
The canonical SMILES for 4-[2-(2-aminoethyl)-5-methyl-1H-imidazol-4-yl]phenol is Cc1[nH]c(CCN)nc1-c1ccc(O)cc1.
What is the InChIKey of 4-[2-(2-aminoethyl)-5-methyl-1H-imidazol-4-yl]phenol?
The InChIKey is OKJSUPWSGZRXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-8-12(15-11(14-8)6-7-13)9-2-4-10(16)5-3-9/h2-5,16H,6-7,13H2,1H3,(H,14,15).
What are the key properties of 4-[2-(2-aminoethyl)-5-methyl-1H-imidazol-4-yl]phenol?
4-[2-(2-aminoethyl)-5-methyl-1H-imidazol-4-yl]phenol has a molecular weight of 217.27 g/mol, XLogP of 1.59, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-aminoethyl)-5-methyl-1H-imidazol-4-yl]phenol is sourced from PubChem (CID 105471255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).