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

C18H22N4O — CID 146046653

IUPAC2-methyl-4-[2-[2-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl]butan-2-ol
SMILESCC(C)(O)CCn1ccnc1-c1ccccc1Cn1cccn1
InChIInChI=1S/C18H22N4O/c1-18(2,23)8-12-21-13-10-19-17(21)16-7-4-3-6-15(16)14-22-11-5-9-20-22/h3-7,9-11,13,23H,8,12,14H2,1-2H3
InChIKeyZOCFSTNXMWPWCH-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.96
Rot. Bonds6

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

2-methyl-4-[2-[2-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl]butan-2-ol (PubChem CID 146046653) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-methyl-4-[2-[2-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl]butan-2-ol.

Molecular Properties

Compound Name2-methyl-4-[2-[2-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl]butan-2-ol
PubChem CID146046653
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name2-methyl-4-[2-[2-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl]butan-2-ol
SMILESCC(C)(O)CCn1ccnc1-c1ccccc1Cn1cccn1
InChIInChI=1S/C18H22N4O/c1-18(2,23)8-12-21-13-10-19-17(21)16-7-4-3-6-15(16)14-22-11-5-9-20-22/h3-7,9-11,13,23H,8,12,14H2,1-2H3
InChIKeyZOCFSTNXMWPWCH-UHFFFAOYSA-N
XLogP2.96
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-[2-[2-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl]ethanesulfonamide
CID 70729808
2-methyl-4-[2-(2-methyl-4-pyrazol-1-ylphenyl)imidazol-1-yl]butan-2-ol
CID 146040453
2-methyl-4-[2-[2-(2-methylphenyl)pyrimidin-5-yl]imidazol-1-yl]butan-2-ol
CID 155494598
N-[[2-(1-propylimidazol-2-yl)phenyl]methyl]ethanamine
CID 63974370
4-[2-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]imidazol-1-yl]-2-methylbutan-2-ol
CID 154569085
2-[5-[2-[2-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl]benzimidazol-1-yl]ethanol
CID 138808259
(3S,4S)-1,1-dioxo-4-[2-[2-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl]thiolan-3-ol
CID 56864786
2-methyl-N-[2-[2-(pyrazol-1-ylmethyl)phenyl]ethyl]propan-2-amine
CID 115464297
1-[2-(pyrazol-1-ylmethyl)phenyl]pyrazole
CID 101492467
1-ethyl-2-(2-methylphenyl)imidazole
CID 110540780
2-(ethylamino)-2-methyl-4-(2-phenylimidazol-1-yl)butan-1-ol
CID 64810293
4-benzyl-5-[2-(pyrazol-1-ylmethyl)phenyl]-1,3-oxazole
CID 163305968

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[2-[2-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl]butan-2-ol?
The IUPAC name of 2-methyl-4-[2-[2-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl]butan-2-ol (CID 146046653) is 2-methyl-4-[2-[2-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl]butan-2-ol.
What is the SMILES notation for 2-methyl-4-[2-[2-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl]butan-2-ol?
The canonical SMILES for 2-methyl-4-[2-[2-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl]butan-2-ol is CC(C)(O)CCn1ccnc1-c1ccccc1Cn1cccn1.
What is the InChIKey of 2-methyl-4-[2-[2-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl]butan-2-ol?
The InChIKey is ZOCFSTNXMWPWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-18(2,23)8-12-21-13-10-19-17(21)16-7-4-3-6-15(16)14-22-11-5-9-20-22/h3-7,9-11,13,23H,8,12,14H2,1-2H3.
What are the key properties of 2-methyl-4-[2-[2-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl]butan-2-ol?
2-methyl-4-[2-[2-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl]butan-2-ol has a molecular weight of 310.40 g/mol, XLogP of 2.96, 6 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-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl]butan-2-ol is sourced from PubChem (CID 146046653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).