2-[(4-fluorophenyl)methylsulfanyl]-3-methyl-N-propylbenzimidazole-5-carboxamide

C19H20FN3OS — CID 22522475

IUPAC2-[(4-fluorophenyl)methylsulfanyl]-3-methyl-N-propylbenzimidazole-5-carboxamide
SMILESCCCNC(=O)c1ccc2nc(SCc3ccc(F)cc3)n(C)c2c1
InChIInChI=1S/C19H20FN3OS/c1-3-10-21-18(24)14-6-9-16-17(11-14)23(2)19(22-16)25-12-13-4-7-15(20)8-5-13/h4-9,11H,3,10,12H2,1-2H3,(H,21,24)
InChIKeyZXTMUMXOIWFHLZ-UHFFFAOYSA-N
MW357.45 g/mol
LogP4.14
Rot. Bonds6

About 2-[(4-fluorophenyl)methylsulfanyl]-3-methyl-N-propylbenzimidazole-5-carboxamide

2-[(4-fluorophenyl)methylsulfanyl]-3-methyl-N-propylbenzimidazole-5-carboxamide (PubChem CID 22522475) has the molecular formula C19H20FN3OS and a molecular weight of 357.45 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylsulfanyl]-3-methyl-N-propylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylsulfanyl]-3-methyl-N-propylbenzimidazole-5-carboxamide
PubChem CID22522475
Molecular FormulaC19H20FN3OS
Molecular Weight357.45 g/mol
Exact Mass357.13
IUPAC Name2-[(4-fluorophenyl)methylsulfanyl]-3-methyl-N-propylbenzimidazole-5-carboxamide
SMILESCCCNC(=O)c1ccc2nc(SCc3ccc(F)cc3)n(C)c2c1
InChIInChI=1S/C19H20FN3OS/c1-3-10-21-18(24)14-6-9-16-17(11-14)23(2)19(22-16)25-12-13-4-7-15(20)8-5-13/h4-9,11H,3,10,12H2,1-2H3,(H,21,24)
InChIKeyZXTMUMXOIWFHLZ-UHFFFAOYSA-N
XLogP4.14
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzylsulfanyl-3-(3-fluorophenyl)-4-oxo-N-propylquinazoline-7-carboxamide
CID 46361887
N-butyl-4-[[2-[(2-chloro-4-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]benzamide
CID 46288313
4-N-[2-(4-fluorophenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide
CID 109042913
2-[bis(4-fluorophenyl)-hydroxymethyl]-N-(2-hydroxypentyl)-3-methylbenzimidazole-5-carboxamide
CID 126726529
4-[[2-[(3-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-N-propylbenzamide
CID 20887210
3-(3-fluorophenyl)-2-[(3-methylphenyl)methylsulfanyl]-4-oxo-N-propylquinazoline-7-carboxamide
CID 46361885
2-[(4-chlorophenyl)methylsulfanyl]-3-(3,5-dimethylphenyl)-4-oxo-N-propylquinazoline-7-carboxamide
CID 46361951
2-[(4-fluorophenyl)methylsulfanyl]-3-[(3-methylphenyl)methyl]benzimidazole-5-carboxylic acid
CID 20886827
N-(2-aminophenyl)-4-[(6-methoxy-1-methylbenzimidazol-2-yl)sulfanylmethyl]benzamide;ethane
CID 143508693
N-[2-(cyclohexen-1-yl)ethyl]-4-[[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]benzamide
CID 20887226
4-[[2-[(2-chloro-4-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 50764056
3-[(4-fluorophenyl)methylamino]-N-propylbenzamide
CID 43675966

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylsulfanyl]-3-methyl-N-propylbenzimidazole-5-carboxamide?
The IUPAC name of 2-[(4-fluorophenyl)methylsulfanyl]-3-methyl-N-propylbenzimidazole-5-carboxamide (CID 22522475) is 2-[(4-fluorophenyl)methylsulfanyl]-3-methyl-N-propylbenzimidazole-5-carboxamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methylsulfanyl]-3-methyl-N-propylbenzimidazole-5-carboxamide?
The canonical SMILES for 2-[(4-fluorophenyl)methylsulfanyl]-3-methyl-N-propylbenzimidazole-5-carboxamide is CCCNC(=O)c1ccc2nc(SCc3ccc(F)cc3)n(C)c2c1.
What is the InChIKey of 2-[(4-fluorophenyl)methylsulfanyl]-3-methyl-N-propylbenzimidazole-5-carboxamide?
The InChIKey is ZXTMUMXOIWFHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3OS/c1-3-10-21-18(24)14-6-9-16-17(11-14)23(2)19(22-16)25-12-13-4-7-15(20)8-5-13/h4-9,11H,3,10,12H2,1-2H3,(H,21,24).
What are the key properties of 2-[(4-fluorophenyl)methylsulfanyl]-3-methyl-N-propylbenzimidazole-5-carboxamide?
2-[(4-fluorophenyl)methylsulfanyl]-3-methyl-N-propylbenzimidazole-5-carboxamide has a molecular weight of 357.45 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylsulfanyl]-3-methyl-N-propylbenzimidazole-5-carboxamide is sourced from PubChem (CID 22522475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).