N-(3-fluorophenyl)-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide

C16H12FN3OS — CID 29371383

IUPACN-(3-fluorophenyl)-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1c[nH]c(=S)n1-c1ccccc1
InChIInChI=1S/C16H12FN3OS/c17-11-5-4-6-12(9-11)19-15(21)14-10-18-16(22)20(14)13-7-2-1-3-8-13/h1-10H,(H,18,22)(H,19,21)
InChIKeySCLQMQHKHOFUIU-UHFFFAOYSA-N
MW313.36 g/mol
LogP3.93
Rot. Bonds3

About N-(3-fluorophenyl)-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide

N-(3-fluorophenyl)-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide (PubChem CID 29371383) has the molecular formula C16H12FN3OS and a molecular weight of 313.36 g/mol. Its IUPAC name is N-(3-fluorophenyl)-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
PubChem CID29371383
Molecular FormulaC16H12FN3OS
Molecular Weight313.36 g/mol
Exact Mass313.07
IUPAC NameN-(3-fluorophenyl)-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1c[nH]c(=S)n1-c1ccccc1
InChIInChI=1S/C16H12FN3OS/c17-11-5-4-6-12(9-11)19-15(21)14-10-18-16(22)20(14)13-7-2-1-3-8-13/h1-10H,(H,18,22)(H,19,21)
InChIKeySCLQMQHKHOFUIU-UHFFFAOYSA-N
XLogP3.93
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethylphenyl)-3-(4-fluorophenyl)-2-sulfanylidene-1H-imidazole-4-carboxamide
CID 17449995
N-(4-fluorophenyl)-3-(4-methylphenyl)-2-sulfanylidene-1H-imidazole-4-carboxamide
CID 58965126
[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)methanone
CID 25343053
N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
CID 29367366
3-phenyl-N-[(3R)-1-(phenylcarbamoyl)pyrrolidin-3-yl]-2-sulfanylidene-1H-imidazole-4-carboxamide
CID 100748973
2,3,5,6-tetrafluoro-1-N,4-N-bis(3-fluorophenyl)benzene-1,4-dicarboxamide
CID 3094065
N-[(3-methylthiophen-2-yl)methyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
CID 32988332
3-N,5-N-bis(3-fluorophenyl)-1-methylpyrazole-3,5-dicarboxamide
CID 29097363
N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)-2-sulfanylidene-1H-imidazole-4-carboxamide
CID 24548750
1-chloro-N-(3-fluorophenyl)isoquinoline-3-carboxamide
CID 43342757
(3-fluorophenyl)carbamic acid;hydrochloride
CID 70589934
N-[(2R,3R)-2-hydroxy-3-methylpentyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
CID 99701118

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide (CID 29371383) is N-(3-fluorophenyl)-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide is O=C(Nc1cccc(F)c1)c1c[nH]c(=S)n1-c1ccccc1.
What is the InChIKey of N-(3-fluorophenyl)-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide?
The InChIKey is SCLQMQHKHOFUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3OS/c17-11-5-4-6-12(9-11)19-15(21)14-10-18-16(22)20(14)13-7-2-1-3-8-13/h1-10H,(H,18,22)(H,19,21).
What are the key properties of N-(3-fluorophenyl)-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide?
N-(3-fluorophenyl)-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 3.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide is sourced from PubChem (CID 29371383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).