3-methyl-1-(1-methylimidazol-2-yl)-3-phenylbutan-2-ol

C15H20N2O — CID 79751999

IUPAC3-methyl-1-(1-methylimidazol-2-yl)-3-phenylbutan-2-ol
SMILESCn1ccnc1CC(O)C(C)(C)c1ccccc1
InChIInChI=1S/C15H20N2O/c1-15(2,12-7-5-4-6-8-12)13(18)11-14-16-9-10-17(14)3/h4-10,13,18H,11H2,1-3H3
InChIKeyNESQIPMARQKMAP-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.30
Rot. Bonds4

About 3-methyl-1-(1-methylimidazol-2-yl)-3-phenylbutan-2-ol

3-methyl-1-(1-methylimidazol-2-yl)-3-phenylbutan-2-ol (PubChem CID 79751999) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 3-methyl-1-(1-methylimidazol-2-yl)-3-phenylbutan-2-ol.

Molecular Properties

Compound Name3-methyl-1-(1-methylimidazol-2-yl)-3-phenylbutan-2-ol
PubChem CID79751999
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name3-methyl-1-(1-methylimidazol-2-yl)-3-phenylbutan-2-ol
SMILESCn1ccnc1CC(O)C(C)(C)c1ccccc1
InChIInChI=1S/C15H20N2O/c1-15(2,12-7-5-4-6-8-12)13(18)11-14-16-9-10-17(14)3/h4-10,13,18H,11H2,1-3H3
InChIKeyNESQIPMARQKMAP-UHFFFAOYSA-N
XLogP2.30
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-(1-methylimidazol-2-yl)-3-methylsulfonylbutan-2-ol
CID 115820431
3-(1-methylimidazol-2-yl)-2-phenylpropanoic acid
CID 81008633
3-ethoxy-3-ethyl-1-(1-methylimidazol-2-yl)pentan-2-ol
CID 116752394
2-methyl-N-[3-(1-methylimidazol-2-yl)-2-phenylpropyl]propan-2-amine
CID 81024683
2-(1-methylimidazol-2-yl)-1-thiophen-2-ylethanol
CID 79745049
1-(2-ethylphenyl)-2-(1-methylimidazol-2-yl)ethanol
CID 79744422
2-methyl-2-phenyl-1-(1-propylimidazol-2-yl)propan-1-ol
CID 63975212
[1-(1-methylimidazol-2-yl)-3-phenylpropan-2-yl]hydrazine
CID 105195404
N-methyl-1-(1-methylimidazol-2-yl)-3-phenylpropan-2-amine
CID 79752421
1-(4-tert-butylphenyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 115580384
2-methyl-1-(1-methylimidazol-2-yl)-2-phenyl-N-propylpropan-1-amine
CID 63975390
1-(1-methylimidazol-2-yl)-3-pyridin-4-ylpropan-2-ol
CID 79752618

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1-methylimidazol-2-yl)-3-phenylbutan-2-ol?
The IUPAC name of 3-methyl-1-(1-methylimidazol-2-yl)-3-phenylbutan-2-ol (CID 79751999) is 3-methyl-1-(1-methylimidazol-2-yl)-3-phenylbutan-2-ol.
What is the SMILES notation for 3-methyl-1-(1-methylimidazol-2-yl)-3-phenylbutan-2-ol?
The canonical SMILES for 3-methyl-1-(1-methylimidazol-2-yl)-3-phenylbutan-2-ol is Cn1ccnc1CC(O)C(C)(C)c1ccccc1.
What is the InChIKey of 3-methyl-1-(1-methylimidazol-2-yl)-3-phenylbutan-2-ol?
The InChIKey is NESQIPMARQKMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-15(2,12-7-5-4-6-8-12)13(18)11-14-16-9-10-17(14)3/h4-10,13,18H,11H2,1-3H3.
What are the key properties of 3-methyl-1-(1-methylimidazol-2-yl)-3-phenylbutan-2-ol?
3-methyl-1-(1-methylimidazol-2-yl)-3-phenylbutan-2-ol has a molecular weight of 244.34 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1-methylimidazol-2-yl)-3-phenylbutan-2-ol is sourced from PubChem (CID 79751999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).