4-(1-methylimidazol-2-yl)-2-[(3-methylphenyl)methyl]butan-1-ol

C16H22N2O — CID 114532669

IUPAC4-(1-methylimidazol-2-yl)-2-[(3-methylphenyl)methyl]butan-1-ol
SMILESCc1cccc(CC(CO)CCc2nccn2C)c1
InChIInChI=1S/C16H22N2O/c1-13-4-3-5-14(10-13)11-15(12-19)6-7-16-17-8-9-18(16)2/h3-5,8-10,15,19H,6-7,11-12H2,1-2H3
InChIKeySNGLDXZBXOAYKX-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.51
Rot. Bonds6

About 4-(1-methylimidazol-2-yl)-2-[(3-methylphenyl)methyl]butan-1-ol

4-(1-methylimidazol-2-yl)-2-[(3-methylphenyl)methyl]butan-1-ol (PubChem CID 114532669) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 4-(1-methylimidazol-2-yl)-2-[(3-methylphenyl)methyl]butan-1-ol.

Molecular Properties

Compound Name4-(1-methylimidazol-2-yl)-2-[(3-methylphenyl)methyl]butan-1-ol
PubChem CID114532669
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name4-(1-methylimidazol-2-yl)-2-[(3-methylphenyl)methyl]butan-1-ol
SMILESCc1cccc(CC(CO)CCc2nccn2C)c1
InChIInChI=1S/C16H22N2O/c1-13-4-3-5-14(10-13)11-15(12-19)6-7-16-17-8-9-18(16)2/h3-5,8-10,15,19H,6-7,11-12H2,1-2H3
InChIKeySNGLDXZBXOAYKX-UHFFFAOYSA-N
XLogP2.51
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

{3-[(1H-imidazol-1-yl)methyl]phenyl}methanol
CID 10397593
(1-methyl-1H-imidazol-2-yl)(phenyl)methanol
CID 2859379
1-(2-Hydroxy-4-phenylbutyl)imidazole
CID 13457355
1-Imidazol-1-yl-4-phenylbutan-2-ol;hydrochloride
CID 25143490
1-(1H-imidazol-1-yl)-4-(4-iodophenyl)butan-2-ol hydrochloride
CID 16739247
1-(1H-imidazol-1-yl)-4-(4-iodophenyl)-2-butanol hydrochloride
CID 16739248
1-[1-[3-(4-Phenylphenyl)propyl]imidazol-2-yl]ethanol
CID 142479432
1H-Imidazolium, 2-((hydroxyimino)methyl)-1-methyl-3-((3-phenylpropoxy)methyl)-, chloride
CID 135705517
4-(2-Methylimidazol-1-yl)-2,2-diphenylbutan-1-ol
CID 44308653
{3-(3-chlorobenzyl)-1-[(1-ethyl-1H-imidazol-2-yl)methyl]-3-piperidinyl}methanol
CID 45251769
N,N-dimethyl-1-(1-methylimidazol-2-yl)oxy-7-phenylheptan-3-amine
CID 122189563
2-(3-Benzyl-2-methylimidazol-3-ium-1-yl)ethanol bromide
CID 168287276

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylimidazol-2-yl)-2-[(3-methylphenyl)methyl]butan-1-ol?
The IUPAC name of 4-(1-methylimidazol-2-yl)-2-[(3-methylphenyl)methyl]butan-1-ol (CID 114532669) is 4-(1-methylimidazol-2-yl)-2-[(3-methylphenyl)methyl]butan-1-ol.
What is the SMILES notation for 4-(1-methylimidazol-2-yl)-2-[(3-methylphenyl)methyl]butan-1-ol?
The canonical SMILES for 4-(1-methylimidazol-2-yl)-2-[(3-methylphenyl)methyl]butan-1-ol is Cc1cccc(CC(CO)CCc2nccn2C)c1.
What is the InChIKey of 4-(1-methylimidazol-2-yl)-2-[(3-methylphenyl)methyl]butan-1-ol?
The InChIKey is SNGLDXZBXOAYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-13-4-3-5-14(10-13)11-15(12-19)6-7-16-17-8-9-18(16)2/h3-5,8-10,15,19H,6-7,11-12H2,1-2H3.
What are the key properties of 4-(1-methylimidazol-2-yl)-2-[(3-methylphenyl)methyl]butan-1-ol?
4-(1-methylimidazol-2-yl)-2-[(3-methylphenyl)methyl]butan-1-ol has a molecular weight of 258.37 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylimidazol-2-yl)-2-[(3-methylphenyl)methyl]butan-1-ol is sourced from PubChem (CID 114532669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).