1-(1-methylimidazol-2-yl)-2-(3-methylphenyl)ethanol

C13H16N2O — CID 63976645

IUPAC1-(1-methylimidazol-2-yl)-2-(3-methylphenyl)ethanol
SMILESCc1cccc(CC(O)c2nccn2C)c1
InChIInChI=1S/C13H16N2O/c1-10-4-3-5-11(8-10)9-12(16)13-14-6-7-15(13)2/h3-8,12,16H,9H2,1-2H3
InChIKeyLEAIXPZWDBXDNO-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.00
Rot. Bonds3

About 1-(1-methylimidazol-2-yl)-2-(3-methylphenyl)ethanol

1-(1-methylimidazol-2-yl)-2-(3-methylphenyl)ethanol (PubChem CID 63976645) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-(1-methylimidazol-2-yl)-2-(3-methylphenyl)ethanol.

Molecular Properties

Compound Name1-(1-methylimidazol-2-yl)-2-(3-methylphenyl)ethanol
PubChem CID63976645
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name1-(1-methylimidazol-2-yl)-2-(3-methylphenyl)ethanol
SMILESCc1cccc(CC(O)c2nccn2C)c1
InChIInChI=1S/C13H16N2O/c1-10-4-3-5-11(8-10)9-12(16)13-14-6-7-15(13)2/h3-8,12,16H,9H2,1-2H3
InChIKeyLEAIXPZWDBXDNO-UHFFFAOYSA-N
XLogP2.00
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromophenyl)-1-(1-methylimidazol-2-yl)ethanol
CID 63975789
2-(3-fluorophenyl)-1-(1-methylimidazol-2-yl)ethanol
CID 63976213
N-ethyl-1-(1-methylimidazol-2-yl)-2-(3-methylphenyl)ethanamine
CID 63976652
1-(1-methylimidazol-2-yl)-4-(3-methylphenyl)butan-2-ol
CID 105113610
4-(1-methylimidazol-2-yl)-2-[(3-methylphenyl)methyl]butan-1-ol
CID 114532669
2-(3-methylphenyl)-1-(2-methyl-4-pyridinyl)ethanol
CID 106756085
[3-fluoro-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol
CID 110220751
2-(3-methylphenyl)-1-(5-methyl-2-pyridinyl)ethanol
CID 81318745
(1-methylimidazol-2-yl)-[3-(2-methylpropyl)phenyl]methanamine
CID 116544947
1-(1-ethylimidazol-2-yl)-4-(3-methylphenyl)butan-2-ol
CID 105112400
1-(1-methylimidazol-2-yl)-3-pyridin-4-ylpropan-1-ol
CID 105098837
3-methyl-4-(3-methylphenyl)butan-2-ol
CID 22157927

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylimidazol-2-yl)-2-(3-methylphenyl)ethanol?
The IUPAC name of 1-(1-methylimidazol-2-yl)-2-(3-methylphenyl)ethanol (CID 63976645) is 1-(1-methylimidazol-2-yl)-2-(3-methylphenyl)ethanol.
What is the SMILES notation for 1-(1-methylimidazol-2-yl)-2-(3-methylphenyl)ethanol?
The canonical SMILES for 1-(1-methylimidazol-2-yl)-2-(3-methylphenyl)ethanol is Cc1cccc(CC(O)c2nccn2C)c1.
What is the InChIKey of 1-(1-methylimidazol-2-yl)-2-(3-methylphenyl)ethanol?
The InChIKey is LEAIXPZWDBXDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-10-4-3-5-11(8-10)9-12(16)13-14-6-7-15(13)2/h3-8,12,16H,9H2,1-2H3.
What are the key properties of 1-(1-methylimidazol-2-yl)-2-(3-methylphenyl)ethanol?
1-(1-methylimidazol-2-yl)-2-(3-methylphenyl)ethanol has a molecular weight of 216.28 g/mol, XLogP of 2.00, 3 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)-2-(3-methylphenyl)ethanol is sourced from PubChem (CID 63976645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).