6-fluoro-N-(3-pyrazin-2-yloxyphenyl)-2-sulfanylidene-1,3-dihydrobenzimidazole-4-carboxamide

C18H12FN5O2S — CID 78903534

IUPAC6-fluoro-N-(3-pyrazin-2-yloxyphenyl)-2-sulfanylidene-1,3-dihydrobenzimidazole-4-carboxamide
SMILESO=C(Nc1cccc(Oc2cnccn2)c1)c1cc(F)cc2[nH]c(=S)[nH]c12
InChIInChI=1S/C18H12FN5O2S/c19-10-6-13(16-14(7-10)23-18(27)24-16)17(25)22-11-2-1-3-12(8-11)26-15-9-20-4-5-21-15/h1-9H,(H,22,25)(H2,23,24,27)
InChIKeyIDSCUGOSIJAMOZ-UHFFFAOYSA-N
MW381.39 g/mol
LogP4.20
Rot. Bonds4

About 6-fluoro-N-(3-pyrazin-2-yloxyphenyl)-2-sulfanylidene-1,3-dihydrobenzimidazole-4-carboxamide

6-fluoro-N-(3-pyrazin-2-yloxyphenyl)-2-sulfanylidene-1,3-dihydrobenzimidazole-4-carboxamide (PubChem CID 78903534) has the molecular formula C18H12FN5O2S and a molecular weight of 381.39 g/mol. Its IUPAC name is 6-fluoro-N-(3-pyrazin-2-yloxyphenyl)-2-sulfanylidene-1,3-dihydrobenzimidazole-4-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-(3-pyrazin-2-yloxyphenyl)-2-sulfanylidene-1,3-dihydrobenzimidazole-4-carboxamide
PubChem CID78903534
Molecular FormulaC18H12FN5O2S
Molecular Weight381.39 g/mol
Exact Mass381.07
IUPAC Name6-fluoro-N-(3-pyrazin-2-yloxyphenyl)-2-sulfanylidene-1,3-dihydrobenzimidazole-4-carboxamide
SMILESO=C(Nc1cccc(Oc2cnccn2)c1)c1cc(F)cc2[nH]c(=S)[nH]c12
InChIInChI=1S/C18H12FN5O2S/c19-10-6-13(16-14(7-10)23-18(27)24-16)17(25)22-11-2-1-3-12(8-11)26-15-9-20-4-5-21-15/h1-9H,(H,22,25)(H2,23,24,27)
InChIKeyIDSCUGOSIJAMOZ-UHFFFAOYSA-N
XLogP4.20
TPSA95.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 54.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-fluoro-N-(3-pyrazin-2-yloxyphenyl)-2-sulfanylidene-1,3-dihydrobenzimidazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-cyclopentyloxyphenyl)-6-fluoro-2-sulfanylidene-1,3-dihydrobenzimidazole-4-carboxamide
CID 78905176
6-methyl-N-(3-pyrazin-2-yloxyphenyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 46431719
2,7-difluoro-9-oxo-N-(3-pyridazin-3-yloxyphenyl)-10H-acridine-4-carboxamide
CID 154864222
N-[4-chloro-3-(trifluoromethyl)phenyl]-6-fluoro-2-sulfanylidene-1,3-dihydrobenzimidazole-4-carboxamide
CID 78903769
1-amino-N-(3-pyrazin-2-yloxyphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119287655
N-(3-pyrazin-2-yloxyphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119287653
7-fluoro-2-oxo-N-(3-pyrazin-2-yloxyphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide
CID 86929909
3-methyl-6-propan-2-yl-N-(3-pyrazin-2-yloxyphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78861772
1-(4-fluorophenyl)-5-methyl-N-(4-pyrazin-2-yloxyphenyl)pyrazole-4-carboxamide
CID 46478747
(1S,2S,4S)-N-(3-pyrazin-2-yloxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 98752390
4-methoxy-N-(3-pyrazin-2-yloxyphenyl)piperidine-4-carboxamide
CID 119720324
2-amino-2-(oxan-4-yl)-N-(3-pyrazin-2-yloxyphenyl)acetamide
CID 120787142

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(3-pyrazin-2-yloxyphenyl)-2-sulfanylidene-1,3-dihydrobenzimidazole-4-carboxamide?
The IUPAC name of 6-fluoro-N-(3-pyrazin-2-yloxyphenyl)-2-sulfanylidene-1,3-dihydrobenzimidazole-4-carboxamide (CID 78903534) is 6-fluoro-N-(3-pyrazin-2-yloxyphenyl)-2-sulfanylidene-1,3-dihydrobenzimidazole-4-carboxamide.
What is the SMILES notation for 6-fluoro-N-(3-pyrazin-2-yloxyphenyl)-2-sulfanylidene-1,3-dihydrobenzimidazole-4-carboxamide?
The canonical SMILES for 6-fluoro-N-(3-pyrazin-2-yloxyphenyl)-2-sulfanylidene-1,3-dihydrobenzimidazole-4-carboxamide is O=C(Nc1cccc(Oc2cnccn2)c1)c1cc(F)cc2[nH]c(=S)[nH]c12.
What is the InChIKey of 6-fluoro-N-(3-pyrazin-2-yloxyphenyl)-2-sulfanylidene-1,3-dihydrobenzimidazole-4-carboxamide?
The InChIKey is IDSCUGOSIJAMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN5O2S/c19-10-6-13(16-14(7-10)23-18(27)24-16)17(25)22-11-2-1-3-12(8-11)26-15-9-20-4-5-21-15/h1-9H,(H,22,25)(H2,23,24,27).
What are the key properties of 6-fluoro-N-(3-pyrazin-2-yloxyphenyl)-2-sulfanylidene-1,3-dihydrobenzimidazole-4-carboxamide?
6-fluoro-N-(3-pyrazin-2-yloxyphenyl)-2-sulfanylidene-1,3-dihydrobenzimidazole-4-carboxamide has a molecular weight of 381.39 g/mol, XLogP of 4.20, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(3-pyrazin-2-yloxyphenyl)-2-sulfanylidene-1,3-dihydrobenzimidazole-4-carboxamide is sourced from PubChem (CID 78903534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).