6-fluoro-N-(4-piperidin-1-ylphenyl)-2-sulfanylidene-1,3-dihydrobenzimidazole-4-carboxamide

C19H19FN4OS — CID 78903656

IUPAC6-fluoro-N-(4-piperidin-1-ylphenyl)-2-sulfanylidene-1,3-dihydrobenzimidazole-4-carboxamide
SMILESO=C(Nc1ccc(N2CCCCC2)cc1)c1cc(F)cc2[nH]c(=S)[nH]c12
InChIInChI=1S/C19H19FN4OS/c20-12-10-15(17-16(11-12)22-19(26)23-17)18(25)21-13-4-6-14(7-5-13)24-8-2-1-3-9-24/h4-7,10-11H,1-3,8-9H2,(H,21,25)(H2,22,23,26)
InChIKeyFJPKZWQSYQBIHZ-UHFFFAOYSA-N
MW370.45 g/mol
LogP4.61
Rot. Bonds3

About 6-fluoro-N-(4-piperidin-1-ylphenyl)-2-sulfanylidene-1,3-dihydrobenzimidazole-4-carboxamide

6-fluoro-N-(4-piperidin-1-ylphenyl)-2-sulfanylidene-1,3-dihydrobenzimidazole-4-carboxamide (PubChem CID 78903656) has the molecular formula C19H19FN4OS and a molecular weight of 370.45 g/mol. Its IUPAC name is 6-fluoro-N-(4-piperidin-1-ylphenyl)-2-sulfanylidene-1,3-dihydrobenzimidazole-4-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-(4-piperidin-1-ylphenyl)-2-sulfanylidene-1,3-dihydrobenzimidazole-4-carboxamide
PubChem CID78903656
Molecular FormulaC19H19FN4OS
Molecular Weight370.45 g/mol
Exact Mass370.13
IUPAC Name6-fluoro-N-(4-piperidin-1-ylphenyl)-2-sulfanylidene-1,3-dihydrobenzimidazole-4-carboxamide
SMILESO=C(Nc1ccc(N2CCCCC2)cc1)c1cc(F)cc2[nH]c(=S)[nH]c12
InChIInChI=1S/C19H19FN4OS/c20-12-10-15(17-16(11-12)22-19(26)23-17)18(25)21-13-4-6-14(7-5-13)24-8-2-1-3-9-24/h4-7,10-11H,1-3,8-9H2,(H,21,25)(H2,22,23,26)
InChIKeyFJPKZWQSYQBIHZ-UHFFFAOYSA-N
XLogP4.61
TPSA63.92 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

6-fluoro-N-(4-piperidin-1-ylphenyl)-1H-indole-3-carboxamide
CID 113206297
6-fluoro-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-2-sulfanylidene-1,3-dihydrobenzimidazole-4-carboxamide
CID 78904017
N'-(4-fluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide
CID 108987038
2,5-dimethyl-N-(4-pyrrolidin-1-ylphenyl)-1H-pyrrole-3-carboxamide
CID 110766236
4-fluoro-N-[4-(4-pyrrolidin-1-ylanilino)phenyl]benzamide
CID 112988761
5-(4-fluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 109199047
4-cyano-2-fluoro-N-(4-piperidin-1-ylphenyl)benzamide
CID 675546
N-[4-(azepan-1-yl)phenyl]-2,4-dimethylbenzamide
CID 60593055
2-methylsulfanyl-N-(4-piperidin-1-ylphenyl)benzamide
CID 26289649
1-acetyl-5-fluoro-N-(4-piperidin-1-ylphenyl)indole-3-carboxamide
CID 113212477
6-(4-fluoroanilino)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 109163278
5-piperidin-1-yl-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
CID 109226589

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(4-piperidin-1-ylphenyl)-2-sulfanylidene-1,3-dihydrobenzimidazole-4-carboxamide?
The IUPAC name of 6-fluoro-N-(4-piperidin-1-ylphenyl)-2-sulfanylidene-1,3-dihydrobenzimidazole-4-carboxamide (CID 78903656) is 6-fluoro-N-(4-piperidin-1-ylphenyl)-2-sulfanylidene-1,3-dihydrobenzimidazole-4-carboxamide.
What is the SMILES notation for 6-fluoro-N-(4-piperidin-1-ylphenyl)-2-sulfanylidene-1,3-dihydrobenzimidazole-4-carboxamide?
The canonical SMILES for 6-fluoro-N-(4-piperidin-1-ylphenyl)-2-sulfanylidene-1,3-dihydrobenzimidazole-4-carboxamide is O=C(Nc1ccc(N2CCCCC2)cc1)c1cc(F)cc2[nH]c(=S)[nH]c12.
What is the InChIKey of 6-fluoro-N-(4-piperidin-1-ylphenyl)-2-sulfanylidene-1,3-dihydrobenzimidazole-4-carboxamide?
The InChIKey is FJPKZWQSYQBIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4OS/c20-12-10-15(17-16(11-12)22-19(26)23-17)18(25)21-13-4-6-14(7-5-13)24-8-2-1-3-9-24/h4-7,10-11H,1-3,8-9H2,(H,21,25)(H2,22,23,26).
What are the key properties of 6-fluoro-N-(4-piperidin-1-ylphenyl)-2-sulfanylidene-1,3-dihydrobenzimidazole-4-carboxamide?
6-fluoro-N-(4-piperidin-1-ylphenyl)-2-sulfanylidene-1,3-dihydrobenzimidazole-4-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 4.61, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(4-piperidin-1-ylphenyl)-2-sulfanylidene-1,3-dihydrobenzimidazole-4-carboxamide is sourced from PubChem (CID 78903656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).