1-(5-chlorothiophen-2-yl)-2-imidazol-1-yl-1-pyridin-2-ylethanol

C14H12ClN3OS — CID 13473103

IUPAC1-(5-chlorothiophen-2-yl)-2-imidazol-1-yl-1-pyridin-2-ylethanol
SMILESOC(Cn1ccnc1)(c1ccccn1)c1ccc(Cl)s1
InChIInChI=1S/C14H12ClN3OS/c15-13-5-4-12(20-13)14(19,9-18-8-7-16-10-18)11-3-1-2-6-17-11/h1-8,10,19H,9H2
InChIKeyWNQKIUPPKHOEJA-UHFFFAOYSA-N
MW305.79 g/mol
LogP2.93
Rot. Bonds4

About 1-(5-chlorothiophen-2-yl)-2-imidazol-1-yl-1-pyridin-2-ylethanol

1-(5-chlorothiophen-2-yl)-2-imidazol-1-yl-1-pyridin-2-ylethanol (PubChem CID 13473103) has the molecular formula C14H12ClN3OS and a molecular weight of 305.79 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-imidazol-1-yl-1-pyridin-2-ylethanol.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-imidazol-1-yl-1-pyridin-2-ylethanol
PubChem CID13473103
Molecular FormulaC14H12ClN3OS
Molecular Weight305.79 g/mol
Exact Mass305.04
IUPAC Name1-(5-chlorothiophen-2-yl)-2-imidazol-1-yl-1-pyridin-2-ylethanol
SMILESOC(Cn1ccnc1)(c1ccccn1)c1ccc(Cl)s1
InChIInChI=1S/C14H12ClN3OS/c15-13-5-4-12(20-13)14(19,9-18-8-7-16-10-18)11-3-1-2-6-17-11/h1-8,10,19H,9H2
InChIKeyWNQKIUPPKHOEJA-UHFFFAOYSA-N
XLogP2.93
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.79
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)-2-imidazol-1-yl-1-pyridin-2-ylethanol
CID 5302796
(2R)-1-imidazol-1-yl-4,4-dimethyl-2-pyridin-2-ylpentan-2-ol
CID 27876382
(E,2R)-1-imidazol-1-yl-4-phenyl-2-pyridin-2-ylbut-3-en-2-ol
CID 92754338
1-imidazol-1-yl-4-phenyl-2-pyridin-2-ylbut-3-en-2-ol
CID 53397777
2-imidazol-1-yl-1-phenyl-1-(4-phenylphenyl)ethanol
CID 13013640
1-(2,4-dichlorophenyl)-2-imidazol-1-yl-1-phenylethanol
CID 13269114
2-imidazol-1-yl-1-(4-methylphenyl)-1-phenylethanol
CID 15085528
1-[5-[6-[1-(4-fluorophenyl)-1-hydroxy-2-imidazol-1-ylethyl]-3-pyridinyl]-2-pyridinyl]-2-imidazol-1-yl-1-phenylethanol
CID 178019194
1-(5-chlorothiophen-2-yl)-2-imidazol-1-ylethanone
CID 12841537
1-imidazol-1-yl-3-methyl-2-phenylbutan-2-ol
CID 178019209
1-(2,2,2-triphenylethyl)imidazole
CID 53325760
1-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanol
CID 20519458

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-imidazol-1-yl-1-pyridin-2-ylethanol?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-imidazol-1-yl-1-pyridin-2-ylethanol (CID 13473103) is 1-(5-chlorothiophen-2-yl)-2-imidazol-1-yl-1-pyridin-2-ylethanol.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-imidazol-1-yl-1-pyridin-2-ylethanol?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-imidazol-1-yl-1-pyridin-2-ylethanol is OC(Cn1ccnc1)(c1ccccn1)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-imidazol-1-yl-1-pyridin-2-ylethanol?
The InChIKey is WNQKIUPPKHOEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3OS/c15-13-5-4-12(20-13)14(19,9-18-8-7-16-10-18)11-3-1-2-6-17-11/h1-8,10,19H,9H2.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-imidazol-1-yl-1-pyridin-2-ylethanol?
1-(5-chlorothiophen-2-yl)-2-imidazol-1-yl-1-pyridin-2-ylethanol has a molecular weight of 305.79 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-2-imidazol-1-yl-1-pyridin-2-ylethanol is sourced from PubChem (CID 13473103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).