1-(1H-imidazol-5-yl)-2-methyl-1-(4-pyridin-2-ylphenyl)propan-1-ol

C18H19N3O — CID 54582428

IUPAC1-(1H-imidazol-5-yl)-2-methyl-1-(4-pyridin-2-ylphenyl)propan-1-ol
SMILESCC(C)C(O)(c1ccc(-c2ccccn2)cc1)c1cnc[nH]1
InChIInChI=1S/C18H19N3O/c1-13(2)18(22,17-11-19-12-21-17)15-8-6-14(7-9-15)16-5-3-4-10-20-16/h3-13,22H,1-2H3,(H,19,21)
InChIKeyKPCAQRVDZSQEMF-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.36
Rot. Bonds4

About 1-(1H-imidazol-5-yl)-2-methyl-1-(4-pyridin-2-ylphenyl)propan-1-ol

1-(1H-imidazol-5-yl)-2-methyl-1-(4-pyridin-2-ylphenyl)propan-1-ol (PubChem CID 54582428) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-(1H-imidazol-5-yl)-2-methyl-1-(4-pyridin-2-ylphenyl)propan-1-ol.

Molecular Properties

Compound Name1-(1H-imidazol-5-yl)-2-methyl-1-(4-pyridin-2-ylphenyl)propan-1-ol
PubChem CID54582428
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name1-(1H-imidazol-5-yl)-2-methyl-1-(4-pyridin-2-ylphenyl)propan-1-ol
SMILESCC(C)C(O)(c1ccc(-c2ccccn2)cc1)c1cnc[nH]1
InChIInChI=1S/C18H19N3O/c1-13(2)18(22,17-11-19-12-21-17)15-8-6-14(7-9-15)16-5-3-4-10-20-16/h3-13,22H,1-2H3,(H,19,21)
InChIKeyKPCAQRVDZSQEMF-UHFFFAOYSA-N
XLogP3.36
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(4-fluorophenyl)phenyl]-1-(1H-imidazol-5-yl)-2-methylpropan-1-ol
CID 9883170
1-(4'-fluoro[1,1'-biphenyl]-4-yl)-1-(1H-imidazol-4-yl)-2-methyl-1-propanol
CID 9883171
rac-1-[1,1''-biphenyl]-3-yl-1-(1H-imidazol-4-yl)-2-methyl-1-propanol
CID 9904146
4-[4-(4-Fluoro-phenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-1-methyl-piperidin-4-ol
CID 10338084
rac-1-[1,1''-Biphenyl]-4-yl-1-(1H-imidazol-4-yl)-2-methyl-1-propanol
CID 12043372
1-(4'-chloro[1,1'-biphenyl]-4-yl)-1-(1H-imidazol-4-yl)-2-methyl-1-propanol
CID 12043374
2-[3-(1H-imidazol-5-yl)propyl]-1-[3-(4-methylphenyl)-3-pyridin-2-ylpropyl]guanidine
CID 14660348
1-[3-(4-fluorophenyl)-3-hydroxy-3-pyridin-2-ylpropyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine
CID 14660410
1-[3-(4-hydroxyphenyl)-3-pyridin-2-ylpropyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine
CID 14660412
N-{6-[1-hydroxy-1-(1H-imidazol-4-yl)-2-methylpropyl]naphthalen-2-yl}acetamide
CID 17963726
2-((1-hydroxy)cyclohexyl)-4-(4-fluorophenyl)-5-(4-pyridyl)-1H-imidazole
CID 18367514
N-[4'-[1-hydroxy-1-(1H-imidazol-4yl)propyl][1,1'-biphenyl]-3-yl]acetamide
CID 18668538

Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-5-yl)-2-methyl-1-(4-pyridin-2-ylphenyl)propan-1-ol?
The IUPAC name of 1-(1H-imidazol-5-yl)-2-methyl-1-(4-pyridin-2-ylphenyl)propan-1-ol (CID 54582428) is 1-(1H-imidazol-5-yl)-2-methyl-1-(4-pyridin-2-ylphenyl)propan-1-ol.
What is the SMILES notation for 1-(1H-imidazol-5-yl)-2-methyl-1-(4-pyridin-2-ylphenyl)propan-1-ol?
The canonical SMILES for 1-(1H-imidazol-5-yl)-2-methyl-1-(4-pyridin-2-ylphenyl)propan-1-ol is CC(C)C(O)(c1ccc(-c2ccccn2)cc1)c1cnc[nH]1.
What is the InChIKey of 1-(1H-imidazol-5-yl)-2-methyl-1-(4-pyridin-2-ylphenyl)propan-1-ol?
The InChIKey is KPCAQRVDZSQEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-13(2)18(22,17-11-19-12-21-17)15-8-6-14(7-9-15)16-5-3-4-10-20-16/h3-13,22H,1-2H3,(H,19,21).
What are the key properties of 1-(1H-imidazol-5-yl)-2-methyl-1-(4-pyridin-2-ylphenyl)propan-1-ol?
1-(1H-imidazol-5-yl)-2-methyl-1-(4-pyridin-2-ylphenyl)propan-1-ol has a molecular weight of 293.37 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-5-yl)-2-methyl-1-(4-pyridin-2-ylphenyl)propan-1-ol is sourced from PubChem (CID 54582428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).