1-(1-methylimidazol-2-yl)-3-(2-methylphenyl)propan-1-ol

C14H18N2O — CID 105098854

IUPAC1-(1-methylimidazol-2-yl)-3-(2-methylphenyl)propan-1-ol
SMILESCc1ccccc1CCC(O)c1nccn1C
InChIInChI=1S/C14H18N2O/c1-11-5-3-4-6-12(11)7-8-13(17)14-15-9-10-16(14)2/h3-6,9-10,13,17H,7-8H2,1-2H3
InChIKeyBYZKTQZAZILNIC-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.39
Rot. Bonds4

About 1-(1-methylimidazol-2-yl)-3-(2-methylphenyl)propan-1-ol

1-(1-methylimidazol-2-yl)-3-(2-methylphenyl)propan-1-ol (PubChem CID 105098854) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-(1-methylimidazol-2-yl)-3-(2-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name1-(1-methylimidazol-2-yl)-3-(2-methylphenyl)propan-1-ol
PubChem CID105098854
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name1-(1-methylimidazol-2-yl)-3-(2-methylphenyl)propan-1-ol
SMILESCc1ccccc1CCC(O)c1nccn1C
InChIInChI=1S/C14H18N2O/c1-11-5-3-4-6-12(11)7-8-13(17)14-15-9-10-16(14)2/h3-6,9-10,13,17H,7-8H2,1-2H3
InChIKeyBYZKTQZAZILNIC-UHFFFAOYSA-N
XLogP2.39
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methylimidazol-2-yl)-3-pyridin-4-ylpropan-1-ol
CID 105098837
4,4,4-trifluoro-1-(1-methylimidazol-2-yl)butan-1-ol
CID 79954074
N-ethyl-1-(1-ethylimidazol-2-yl)-3-(2-methylphenyl)propan-1-amine
CID 105149854
1-(4-chloro-1-methylpyrazol-5-yl)-3-(2-methylphenyl)propan-1-ol
CID 105129706
N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methylphenyl)acetamide
CID 25338605
1-(1-methylimidazol-2-yl)-2-(3-methylphenyl)ethanol
CID 63976645
1-(furan-2-yl)-1-(1-methylimidazol-2-yl)-N-[(2-methylphenyl)methyl]methanamine
CID 60913950
N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methylphenyl)acetamide
CID 25405660
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-3-(2-methylphenyl)propan-1-ol
CID 105128554
1-(4-bromo-1-propylpyrazol-5-yl)-3-(2-methylphenyl)propan-1-ol
CID 105128010
1-[(1-methylimidazol-2-yl)methyl]-4-[2-(2-methylphenyl)ethyl]piperazine
CID 46984988
(2S,3R)-3-imidazol-1-yl-5-(2-methylphenyl)pentan-2-ol
CID 57225300

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylimidazol-2-yl)-3-(2-methylphenyl)propan-1-ol?
The IUPAC name of 1-(1-methylimidazol-2-yl)-3-(2-methylphenyl)propan-1-ol (CID 105098854) is 1-(1-methylimidazol-2-yl)-3-(2-methylphenyl)propan-1-ol.
What is the SMILES notation for 1-(1-methylimidazol-2-yl)-3-(2-methylphenyl)propan-1-ol?
The canonical SMILES for 1-(1-methylimidazol-2-yl)-3-(2-methylphenyl)propan-1-ol is Cc1ccccc1CCC(O)c1nccn1C.
What is the InChIKey of 1-(1-methylimidazol-2-yl)-3-(2-methylphenyl)propan-1-ol?
The InChIKey is BYZKTQZAZILNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-11-5-3-4-6-12(11)7-8-13(17)14-15-9-10-16(14)2/h3-6,9-10,13,17H,7-8H2,1-2H3.
What are the key properties of 1-(1-methylimidazol-2-yl)-3-(2-methylphenyl)propan-1-ol?
1-(1-methylimidazol-2-yl)-3-(2-methylphenyl)propan-1-ol has a molecular weight of 230.31 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylimidazol-2-yl)-3-(2-methylphenyl)propan-1-ol is sourced from PubChem (CID 105098854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).