2-methyl-4-[2-[2-(2-methylphenyl)pyrimidin-5-yl]imidazol-1-yl]butan-2-ol

C19H22N4O — CID 155494598

IUPAC2-methyl-4-[2-[2-(2-methylphenyl)pyrimidin-5-yl]imidazol-1-yl]butan-2-ol
SMILESCc1ccccc1-c1ncc(-c2nccn2CCC(C)(C)O)cn1
InChIInChI=1S/C19H22N4O/c1-14-6-4-5-7-16(14)17-21-12-15(13-22-17)18-20-9-11-23(18)10-8-19(2,3)24/h4-7,9,11-13,24H,8,10H2,1-3H3
InChIKeyDYJKPZNCZGPQAS-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.48
Rot. Bonds5

About 2-methyl-4-[2-[2-(2-methylphenyl)pyrimidin-5-yl]imidazol-1-yl]butan-2-ol

2-methyl-4-[2-[2-(2-methylphenyl)pyrimidin-5-yl]imidazol-1-yl]butan-2-ol (PubChem CID 155494598) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-methyl-4-[2-[2-(2-methylphenyl)pyrimidin-5-yl]imidazol-1-yl]butan-2-ol.

Molecular Properties

Compound Name2-methyl-4-[2-[2-(2-methylphenyl)pyrimidin-5-yl]imidazol-1-yl]butan-2-ol
PubChem CID155494598
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name2-methyl-4-[2-[2-(2-methylphenyl)pyrimidin-5-yl]imidazol-1-yl]butan-2-ol
SMILESCc1ccccc1-c1ncc(-c2nccn2CCC(C)(C)O)cn1
InChIInChI=1S/C19H22N4O/c1-14-6-4-5-7-16(14)17-21-12-15(13-22-17)18-20-9-11-23(18)10-8-19(2,3)24/h4-7,9,11-13,24H,8,10H2,1-3H3
InChIKeyDYJKPZNCZGPQAS-UHFFFAOYSA-N
XLogP3.48
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[1-(2-fluoroethyl)imidazol-2-yl]-2-naphthalen-1-ylpyrimidine
CID 70746819
2-methyl-4-[2-[2-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl]butan-2-ol
CID 146046653
2-methyl-4-[2-(2-methyl-4-pyrazol-1-ylphenyl)imidazol-1-yl]butan-2-ol
CID 146040453
2-[2-[3-(2-methylphenyl)phenyl]imidazol-1-yl]ethanol
CID 56740009
4-[2-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]imidazol-1-yl]-2-methylbutan-2-ol
CID 154569085
1-ethyl-2-(2-methylphenyl)imidazole
CID 110540780
formic acid;2-methyl-4-[2-[3-(trifluoromethoxy)phenyl]imidazol-1-yl]butan-2-ol
CID 163333876
2-(ethylamino)-2-methyl-4-(2-phenylimidazol-1-yl)butan-1-ol
CID 64810293
N-methyl-3-[2-(2-methylphenyl)imidazol-1-yl]propan-1-amine
CID 82559024
2-methyl-1-(2-phenylimidazol-1-yl)butan-2-ol
CID 114495862
1-(2,2-dimethylpropyl)-2-phenylimidazole
CID 21060212
2-methyl-4-(4-methylindol-1-yl)butan-2-ol
CID 116620378

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[2-[2-(2-methylphenyl)pyrimidin-5-yl]imidazol-1-yl]butan-2-ol?
The IUPAC name of 2-methyl-4-[2-[2-(2-methylphenyl)pyrimidin-5-yl]imidazol-1-yl]butan-2-ol (CID 155494598) is 2-methyl-4-[2-[2-(2-methylphenyl)pyrimidin-5-yl]imidazol-1-yl]butan-2-ol.
What is the SMILES notation for 2-methyl-4-[2-[2-(2-methylphenyl)pyrimidin-5-yl]imidazol-1-yl]butan-2-ol?
The canonical SMILES for 2-methyl-4-[2-[2-(2-methylphenyl)pyrimidin-5-yl]imidazol-1-yl]butan-2-ol is Cc1ccccc1-c1ncc(-c2nccn2CCC(C)(C)O)cn1.
What is the InChIKey of 2-methyl-4-[2-[2-(2-methylphenyl)pyrimidin-5-yl]imidazol-1-yl]butan-2-ol?
The InChIKey is DYJKPZNCZGPQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-14-6-4-5-7-16(14)17-21-12-15(13-22-17)18-20-9-11-23(18)10-8-19(2,3)24/h4-7,9,11-13,24H,8,10H2,1-3H3.
What are the key properties of 2-methyl-4-[2-[2-(2-methylphenyl)pyrimidin-5-yl]imidazol-1-yl]butan-2-ol?
2-methyl-4-[2-[2-(2-methylphenyl)pyrimidin-5-yl]imidazol-1-yl]butan-2-ol has a molecular weight of 322.41 g/mol, XLogP of 3.48, 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-(2-methylphenyl)pyrimidin-5-yl]imidazol-1-yl]butan-2-ol is sourced from PubChem (CID 155494598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).