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

C15H20N2O — CID 105113610

IUPAC1-(1-methylimidazol-2-yl)-4-(3-methylphenyl)butan-2-ol
SMILESCc1cccc(CCC(O)Cc2nccn2C)c1
InChIInChI=1S/C15H20N2O/c1-12-4-3-5-13(10-12)6-7-14(18)11-15-16-8-9-17(15)2/h3-5,8-10,14,18H,6-7,11H2,1-2H3
InChIKeyLAXJZZCJODXHQC-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.26
Rot. Bonds5

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

1-(1-methylimidazol-2-yl)-4-(3-methylphenyl)butan-2-ol (PubChem CID 105113610) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-(1-methylimidazol-2-yl)-4-(3-methylphenyl)butan-2-ol.

Molecular Properties

Compound Name1-(1-methylimidazol-2-yl)-4-(3-methylphenyl)butan-2-ol
PubChem CID105113610
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name1-(1-methylimidazol-2-yl)-4-(3-methylphenyl)butan-2-ol
SMILESCc1cccc(CCC(O)Cc2nccn2C)c1
InChIInChI=1S/C15H20N2O/c1-12-4-3-5-13(10-12)6-7-14(18)11-15-16-8-9-17(15)2/h3-5,8-10,14,18H,6-7,11H2,1-2H3
InChIKeyLAXJZZCJODXHQC-UHFFFAOYSA-N
XLogP2.26
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethylimidazol-2-yl)-4-(3-methylphenyl)butan-2-ol
CID 105112400
4-(1-methylimidazol-2-yl)-2-[(3-methylphenyl)methyl]butan-1-ol
CID 114532669
4-(3-methylphenyl)-1-phenylbutan-2-ol
CID 63016612
1-(1-methylimidazol-2-yl)-2-(3-methylphenyl)ethanol
CID 63976645
1-(3-fluorophenyl)-3-(1-methylimidazol-2-yl)propan-2-ol
CID 79751415
1-(3,5-difluorophenyl)-4-(1-methylimidazol-2-yl)butan-2-ol
CID 114529701
1-(3,4-dimethylphenyl)-4-(3-methylphenyl)butan-2-ol
CID 63520342
1-amino-4-(3-methylphenyl)butan-2-ol
CID 66581739
1-(1-methylimidazol-2-yl)-3-pyridin-4-ylpropan-2-ol
CID 79752618
1-(1-methylimidazol-2-yl)-5-thiophen-2-ylpentan-2-ol
CID 105113589
1-(2-ethyl-5-methylpyrazol-3-yl)-4-(3-methylphenyl)butan-2-ol
CID 105109667
[3-(1-methylimidazol-2-yl)-1-(3-methylphenyl)propyl]hydrazine
CID 105200793

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylimidazol-2-yl)-4-(3-methylphenyl)butan-2-ol?
The IUPAC name of 1-(1-methylimidazol-2-yl)-4-(3-methylphenyl)butan-2-ol (CID 105113610) is 1-(1-methylimidazol-2-yl)-4-(3-methylphenyl)butan-2-ol.
What is the SMILES notation for 1-(1-methylimidazol-2-yl)-4-(3-methylphenyl)butan-2-ol?
The canonical SMILES for 1-(1-methylimidazol-2-yl)-4-(3-methylphenyl)butan-2-ol is Cc1cccc(CCC(O)Cc2nccn2C)c1.
What is the InChIKey of 1-(1-methylimidazol-2-yl)-4-(3-methylphenyl)butan-2-ol?
The InChIKey is LAXJZZCJODXHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-12-4-3-5-13(10-12)6-7-14(18)11-15-16-8-9-17(15)2/h3-5,8-10,14,18H,6-7,11H2,1-2H3.
What are the key properties of 1-(1-methylimidazol-2-yl)-4-(3-methylphenyl)butan-2-ol?
1-(1-methylimidazol-2-yl)-4-(3-methylphenyl)butan-2-ol has a molecular weight of 244.34 g/mol, XLogP of 2.26, 5 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)-4-(3-methylphenyl)butan-2-ol is sourced from PubChem (CID 105113610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).