1-[(E)-3-(4-fluoro-1-benzothiophen-2-yl)prop-2-enyl]imidazole

C14H11FN2S — CID 165350539

IUPAC1-[(E)-3-(4-fluoro-1-benzothiophen-2-yl)prop-2-enyl]imidazole
SMILESFc1cccc2sc(/C=C/Cn3ccnc3)cc12
InChIInChI=1S/C14H11FN2S/c15-13-4-1-5-14-12(13)9-11(18-14)3-2-7-17-8-6-16-10-17/h1-6,8-10H,7H2/b3-2+
InChIKeyHUOMYNHKAQJUKP-NSCUHMNNSA-N
MW258.32 g/mol
LogP3.95
Rot. Bonds3

About 1-[(E)-3-(4-fluoro-1-benzothiophen-2-yl)prop-2-enyl]imidazole

1-[(E)-3-(4-fluoro-1-benzothiophen-2-yl)prop-2-enyl]imidazole (PubChem CID 165350539) has the molecular formula C14H11FN2S and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-[(E)-3-(4-fluoro-1-benzothiophen-2-yl)prop-2-enyl]imidazole.

Molecular Properties

Compound Name1-[(E)-3-(4-fluoro-1-benzothiophen-2-yl)prop-2-enyl]imidazole
PubChem CID165350539
Molecular FormulaC14H11FN2S
Molecular Weight258.32 g/mol
Exact Mass258.06
IUPAC Name1-[(E)-3-(4-fluoro-1-benzothiophen-2-yl)prop-2-enyl]imidazole
SMILESFc1cccc2sc(/C=C/Cn3ccnc3)cc12
InChIInChI=1S/C14H11FN2S/c15-13-4-1-5-14-12(13)9-11(18-14)3-2-7-17-8-6-16-10-17/h1-6,8-10H,7H2/b3-2+
InChIKeyHUOMYNHKAQJUKP-NSCUHMNNSA-N
XLogP3.95
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(E)-3-(5-chloro-3-methyl-1-benzothiophen-2-yl)prop-2-enyl]imidazole
CID 22091596
1-(3-phenylprop-2-enyl)imidazole;hydrochloride
CID 174925347
1-(3-fluoroprop-2-enyl)imidazole
CID 175465451
1-[(E)-3-(4-methylphenyl)prop-2-enyl]imidazole
CID 56648448
2-[(E)-3-imidazol-1-ylprop-1-enyl]quinoline
CID 18467017
1-[(E)-3-(4-tert-butylphenyl)prop-2-enyl]imidazole
CID 58624286
1-[(Z)-but-2-enyl]imidazole
CID 45087139
[1-(cyclopropylmethyl)-7-(3-imidazol-1-ylprop-1-enyl)indol-2-yl]methanol
CID 170344374
[3-fluoro-2-(3-imidazol-1-ylpropoxy)phenyl]methanamine
CID 112608034
1-[3-fluoro-2-(3-imidazol-1-ylpropoxy)phenyl]-N-methylmethanamine
CID 112608841
(E)-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide;hydrochloride
CID 121055231
4-fluoro-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-methyl-1-benzothiophene-2-carboxamide
CID 37424239

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-(4-fluoro-1-benzothiophen-2-yl)prop-2-enyl]imidazole?
The IUPAC name of 1-[(E)-3-(4-fluoro-1-benzothiophen-2-yl)prop-2-enyl]imidazole (CID 165350539) is 1-[(E)-3-(4-fluoro-1-benzothiophen-2-yl)prop-2-enyl]imidazole.
What is the SMILES notation for 1-[(E)-3-(4-fluoro-1-benzothiophen-2-yl)prop-2-enyl]imidazole?
The canonical SMILES for 1-[(E)-3-(4-fluoro-1-benzothiophen-2-yl)prop-2-enyl]imidazole is Fc1cccc2sc(/C=C/Cn3ccnc3)cc12.
What is the InChIKey of 1-[(E)-3-(4-fluoro-1-benzothiophen-2-yl)prop-2-enyl]imidazole?
The InChIKey is HUOMYNHKAQJUKP-NSCUHMNNSA-N. The full InChI is InChI=1S/C14H11FN2S/c15-13-4-1-5-14-12(13)9-11(18-14)3-2-7-17-8-6-16-10-17/h1-6,8-10H,7H2/b3-2+.
What are the key properties of 1-[(E)-3-(4-fluoro-1-benzothiophen-2-yl)prop-2-enyl]imidazole?
1-[(E)-3-(4-fluoro-1-benzothiophen-2-yl)prop-2-enyl]imidazole has a molecular weight of 258.32 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-(4-fluoro-1-benzothiophen-2-yl)prop-2-enyl]imidazole is sourced from PubChem (CID 165350539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).