[5-[2-(2-chloro-4-pyridinyl)ethynyl]-3-(4-fluorophenyl)-2-methylimidazol-4-yl]methanol

C18H13ClFN3O — CID 11530240

IUPAC[5-[2-(2-chloro-4-pyridinyl)ethynyl]-3-(4-fluorophenyl)-2-methylimidazol-4-yl]methanol
SMILESCc1nc(C#Cc2ccnc(Cl)c2)c(CO)n1-c1ccc(F)cc1
InChIInChI=1S/C18H13ClFN3O/c1-12-22-16(7-2-13-8-9-21-18(19)10-13)17(11-24)23(12)15-5-3-14(20)4-6-15/h3-6,8-10,24H,11H2,1H3
InChIKeyXHHAPHQRRBMIKV-UHFFFAOYSA-N
MW341.77 g/mol
LogP3.26
Rot. Bonds2

About [5-[2-(2-chloro-4-pyridinyl)ethynyl]-3-(4-fluorophenyl)-2-methylimidazol-4-yl]methanol

[5-[2-(2-chloro-4-pyridinyl)ethynyl]-3-(4-fluorophenyl)-2-methylimidazol-4-yl]methanol (PubChem CID 11530240) has the molecular formula C18H13ClFN3O and a molecular weight of 341.77 g/mol. Its IUPAC name is [5-[2-(2-chloro-4-pyridinyl)ethynyl]-3-(4-fluorophenyl)-2-methylimidazol-4-yl]methanol.

Molecular Properties

Compound Name[5-[2-(2-chloro-4-pyridinyl)ethynyl]-3-(4-fluorophenyl)-2-methylimidazol-4-yl]methanol
PubChem CID11530240
Molecular FormulaC18H13ClFN3O
Molecular Weight341.77 g/mol
Exact Mass341.07
IUPAC Name[5-[2-(2-chloro-4-pyridinyl)ethynyl]-3-(4-fluorophenyl)-2-methylimidazol-4-yl]methanol
SMILESCc1nc(C#Cc2ccnc(Cl)c2)c(CO)n1-c1ccc(F)cc1
InChIInChI=1S/C18H13ClFN3O/c1-12-22-16(7-2-13-8-9-21-18(19)10-13)17(11-24)23(12)15-5-3-14(20)4-6-15/h3-6,8-10,24H,11H2,1H3
InChIKeyXHHAPHQRRBMIKV-UHFFFAOYSA-N
XLogP3.26
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.77
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-[2-[2,5-dimethyl-1-[3-methyl-4-(trifluoromethoxy)phenyl]imidazol-4-yl]ethynyl]pyridine
CID 11509685
2-chloro-4-[2-[1-(3-chloro-4-fluorophenyl)-2-methylimidazol-4-yl]ethynyl]pyridine
CID 86595317
2-chloro-4-[2-[1-(3-fluoro-4-methylphenyl)-2-methylimidazol-4-yl]ethynyl]pyridine
CID 86595315
3-(2-chloro-4-pyridinyl)prop-2-yn-1-ol
CID 169484666
2-chloro-4-[2-[1-(6-fluoro-2-pyridinyl)-2-methylimidazol-4-yl]ethynyl]pyridine
CID 86649882
2-[4-[2-(2-chloro-4-pyridinyl)ethynyl]-2-methylimidazol-1-yl]pyrazine
CID 11770899
4-[4-[2-(2-chloro-4-pyridinyl)ethynyl]-2-methylimidazol-1-yl]-2-(trifluoromethyl)pyrimidine
CID 11740009
4-[2-[1-(4-fluorophenyl)-2-methylimidazol-4-yl]ethynyl]pyridine-2-carbonitrile
CID 24963367
(2-chloro-4-pyridinyl)methanol
CID 7062237
6-[4-[2-(2-chloro-4-pyridinyl)ethynyl]-2-methylimidazol-1-yl]-3-methylpyrimidin-4-one
CID 58111179
1-(2-chloro-4-pyridinyl)-1-(4-fluorophenyl)ethane-1,2-diol
CID 146260150
5-[4-[2-(2-chloro-4-pyridinyl)ethynyl]-2-methylimidazol-1-yl]-2-methylpyridazin-3-one
CID 58111197

Frequently Asked Questions

What is the IUPAC name of [5-[2-(2-chloro-4-pyridinyl)ethynyl]-3-(4-fluorophenyl)-2-methylimidazol-4-yl]methanol?
The IUPAC name of [5-[2-(2-chloro-4-pyridinyl)ethynyl]-3-(4-fluorophenyl)-2-methylimidazol-4-yl]methanol (CID 11530240) is [5-[2-(2-chloro-4-pyridinyl)ethynyl]-3-(4-fluorophenyl)-2-methylimidazol-4-yl]methanol.
What is the SMILES notation for [5-[2-(2-chloro-4-pyridinyl)ethynyl]-3-(4-fluorophenyl)-2-methylimidazol-4-yl]methanol?
The canonical SMILES for [5-[2-(2-chloro-4-pyridinyl)ethynyl]-3-(4-fluorophenyl)-2-methylimidazol-4-yl]methanol is Cc1nc(C#Cc2ccnc(Cl)c2)c(CO)n1-c1ccc(F)cc1.
What is the InChIKey of [5-[2-(2-chloro-4-pyridinyl)ethynyl]-3-(4-fluorophenyl)-2-methylimidazol-4-yl]methanol?
The InChIKey is XHHAPHQRRBMIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFN3O/c1-12-22-16(7-2-13-8-9-21-18(19)10-13)17(11-24)23(12)15-5-3-14(20)4-6-15/h3-6,8-10,24H,11H2,1H3.
What are the key properties of [5-[2-(2-chloro-4-pyridinyl)ethynyl]-3-(4-fluorophenyl)-2-methylimidazol-4-yl]methanol?
[5-[2-(2-chloro-4-pyridinyl)ethynyl]-3-(4-fluorophenyl)-2-methylimidazol-4-yl]methanol has a molecular weight of 341.77 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(2-chloro-4-pyridinyl)ethynyl]-3-(4-fluorophenyl)-2-methylimidazol-4-yl]methanol is sourced from PubChem (CID 11530240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).