2-methyl-4-[2-(2-methyl-4-pyrazol-1-ylphenyl)imidazol-1-yl]butan-2-ol

C18H22N4O — CID 146040453

IUPAC2-methyl-4-[2-(2-methyl-4-pyrazol-1-ylphenyl)imidazol-1-yl]butan-2-ol
SMILESCc1cc(-n2cccn2)ccc1-c1nccn1CCC(C)(C)O
InChIInChI=1S/C18H22N4O/c1-14-13-15(22-10-4-8-20-22)5-6-16(14)17-19-9-12-21(17)11-7-18(2,3)23/h4-6,8-10,12-13,23H,7,11H2,1-3H3
InChIKeyHSFHQBGZSLLOEL-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.21
Rot. Bonds5

About 2-methyl-4-[2-(2-methyl-4-pyrazol-1-ylphenyl)imidazol-1-yl]butan-2-ol

2-methyl-4-[2-(2-methyl-4-pyrazol-1-ylphenyl)imidazol-1-yl]butan-2-ol (PubChem CID 146040453) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-methyl-4-[2-(2-methyl-4-pyrazol-1-ylphenyl)imidazol-1-yl]butan-2-ol.

Molecular Properties

Compound Name2-methyl-4-[2-(2-methyl-4-pyrazol-1-ylphenyl)imidazol-1-yl]butan-2-ol
PubChem CID146040453
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name2-methyl-4-[2-(2-methyl-4-pyrazol-1-ylphenyl)imidazol-1-yl]butan-2-ol
SMILESCc1cc(-n2cccn2)ccc1-c1nccn1CCC(C)(C)O
InChIInChI=1S/C18H22N4O/c1-14-13-15(22-10-4-8-20-22)5-6-16(14)17-19-9-12-21(17)11-7-18(2,3)23/h4-6,8-10,12-13,23H,7,11H2,1-3H3
InChIKeyHSFHQBGZSLLOEL-UHFFFAOYSA-N
XLogP3.21
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-4-[2-[2-(2-methylphenyl)pyrimidin-5-yl]imidazol-1-yl]butan-2-ol
CID 155494598
4-[2-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]imidazol-1-yl]-2-methylbutan-2-ol
CID 154569085
5-[4-(2-methyl-4-pyrazol-1-ylphenyl)triazol-1-yl]pentan-1-ol
CID 72868859
ethane;(2-methyl-5-pyrazol-1-ylphenyl)methanol
CID 143966234
formic acid;2-methyl-4-[2-[3-(trifluoromethoxy)phenyl]imidazol-1-yl]butan-2-ol
CID 163333876
(1Z,3Z)-1-(2-methyl-4-pyrazol-1-ylphenyl)hexa-1,3-diene-1,4-diamine
CID 166776619
N-methyl-3-[2-(2-methylphenyl)imidazol-1-yl]propan-1-amine
CID 82559024
2-prop-1-en-2-yl-4-pyrazol-1-ylpyridine
CID 175922908
4-[2-(2-butyl-5-chloro-1H-imidazol-4-yl)imidazol-1-yl]-2-methylbutan-2-ol
CID 154568365
2-methyl-5-pyrazol-1-ylbenzamide
CID 68604626
3-[1-(3-methoxy-3-methylbutyl)imidazol-2-yl]-8-methyl-1H-quinolin-2-one
CID 146045413
[4-[[2-(3-pyrazol-1-ylphenyl)imidazol-1-yl]methyl]cyclohexyl]methanol
CID 154816686

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[2-(2-methyl-4-pyrazol-1-ylphenyl)imidazol-1-yl]butan-2-ol?
The IUPAC name of 2-methyl-4-[2-(2-methyl-4-pyrazol-1-ylphenyl)imidazol-1-yl]butan-2-ol (CID 146040453) is 2-methyl-4-[2-(2-methyl-4-pyrazol-1-ylphenyl)imidazol-1-yl]butan-2-ol.
What is the SMILES notation for 2-methyl-4-[2-(2-methyl-4-pyrazol-1-ylphenyl)imidazol-1-yl]butan-2-ol?
The canonical SMILES for 2-methyl-4-[2-(2-methyl-4-pyrazol-1-ylphenyl)imidazol-1-yl]butan-2-ol is Cc1cc(-n2cccn2)ccc1-c1nccn1CCC(C)(C)O.
What is the InChIKey of 2-methyl-4-[2-(2-methyl-4-pyrazol-1-ylphenyl)imidazol-1-yl]butan-2-ol?
The InChIKey is HSFHQBGZSLLOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-14-13-15(22-10-4-8-20-22)5-6-16(14)17-19-9-12-21(17)11-7-18(2,3)23/h4-6,8-10,12-13,23H,7,11H2,1-3H3.
What are the key properties of 2-methyl-4-[2-(2-methyl-4-pyrazol-1-ylphenyl)imidazol-1-yl]butan-2-ol?
2-methyl-4-[2-(2-methyl-4-pyrazol-1-ylphenyl)imidazol-1-yl]butan-2-ol has a molecular weight of 310.40 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[2-(2-methyl-4-pyrazol-1-ylphenyl)imidazol-1-yl]butan-2-ol is sourced from PubChem (CID 146040453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).