4-[4-(3-methylphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]but-3-yn-1-ol

C19H17N3O — CID 118303679

IUPAC4-[4-(3-methylphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]but-3-yn-1-ol
SMILESCc1cccc(-c2nc(C#CCCO)[nH]c2-c2ccncc2)c1
InChIInChI=1S/C19H17N3O/c1-14-5-4-6-16(13-14)19-18(15-8-10-20-11-9-15)21-17(22-19)7-2-3-12-23/h4-6,8-11,13,23H,3,12H2,1H3,(H,21,22)
InChIKeyWZFJQVDVTIOPOB-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.18
Rot. Bonds3

About 4-[4-(3-methylphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]but-3-yn-1-ol

4-[4-(3-methylphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]but-3-yn-1-ol (PubChem CID 118303679) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is 4-[4-(3-methylphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]but-3-yn-1-ol.

Molecular Properties

Compound Name4-[4-(3-methylphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]but-3-yn-1-ol
PubChem CID118303679
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC Name4-[4-(3-methylphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]but-3-yn-1-ol
SMILESCc1cccc(-c2nc(C#CCCO)[nH]c2-c2ccncc2)c1
InChIInChI=1S/C19H17N3O/c1-14-5-4-6-16(13-14)19-18(15-8-10-20-11-9-15)21-17(22-19)7-2-3-12-23/h4-6,8-11,13,23H,3,12H2,1H3,(H,21,22)
InChIKeyWZFJQVDVTIOPOB-UHFFFAOYSA-N
XLogP3.18
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-[2-(2,6-difluorophenyl)-4-(3-methylphenyl)-1H-imidazol-5-yl]pyridine
CID 71625692
N-(methyl-methylidene-oxo-λ6-sulfanyl)-4-[4-(3-methylphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]aniline
CID 161425092
cyclohexen-1-yl-[4-(3-methylphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]methanol
CID 118303684
4-[4-(3-iodophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2,6-dimethylphenol
CID 135434125
butane;4-(3-methylphenyl)pyridine
CID 155692257
2-[4-(3-iodophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-5-methylbenzenethiol
CID 146441256
[5-ethyl-4-(3-methylphenyl)-1H-imidazol-2-yl]methanol
CID 105470026
4-[4-(3-fluorophenyl)-2-[4-(2-methylpropyl)phenyl]-1H-imidazol-5-yl]pyridine
CID 134257949
N-hydroxy-3-(2-phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)benzamide
CID 88918376
2-chloro-5-(2-phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenol;hydrochloride
CID 44533820
[2-cyclopropyl-4-(2-phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]methanol
CID 143970064
4-[4-(3-methoxyphenyl)-2-(2,4,6-trimethylphenyl)-1H-imidazol-5-yl]pyridine
CID 54423867

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-methylphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]but-3-yn-1-ol?
The IUPAC name of 4-[4-(3-methylphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]but-3-yn-1-ol (CID 118303679) is 4-[4-(3-methylphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]but-3-yn-1-ol.
What is the SMILES notation for 4-[4-(3-methylphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]but-3-yn-1-ol?
The canonical SMILES for 4-[4-(3-methylphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]but-3-yn-1-ol is Cc1cccc(-c2nc(C#CCCO)[nH]c2-c2ccncc2)c1.
What is the InChIKey of 4-[4-(3-methylphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]but-3-yn-1-ol?
The InChIKey is WZFJQVDVTIOPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O/c1-14-5-4-6-16(13-14)19-18(15-8-10-20-11-9-15)21-17(22-19)7-2-3-12-23/h4-6,8-11,13,23H,3,12H2,1H3,(H,21,22).
What are the key properties of 4-[4-(3-methylphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]but-3-yn-1-ol?
4-[4-(3-methylphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]but-3-yn-1-ol has a molecular weight of 303.37 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-methylphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]but-3-yn-1-ol is sourced from PubChem (CID 118303679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).