4-fluoro-5-hydroxy-1-methyl-N-(4-methyl-1,1-dioxothian-4-yl)benzimidazole-2-carboxamide

C15H18FN3O4S — CID 171655480

IUPAC4-fluoro-5-hydroxy-1-methyl-N-(4-methyl-1,1-dioxothian-4-yl)benzimidazole-2-carboxamide
SMILESCn1c(C(=O)NC2(C)CCS(=O)(=O)CC2)nc2c(F)c(O)ccc21
InChIInChI=1S/C15H18FN3O4S/c1-15(5-7-24(22,23)8-6-15)18-14(21)13-17-12-9(19(13)2)3-4-10(20)11(12)16/h3-4,20H,5-8H2,1-2H3,(H,18,21)
InChIKeyYEKMGVOGAHVNJU-UHFFFAOYSA-N
MW355.39 g/mol
LogP1.12
Rot. Bonds2

About 4-fluoro-5-hydroxy-1-methyl-N-(4-methyl-1,1-dioxothian-4-yl)benzimidazole-2-carboxamide

4-fluoro-5-hydroxy-1-methyl-N-(4-methyl-1,1-dioxothian-4-yl)benzimidazole-2-carboxamide (PubChem CID 171655480) has the molecular formula C15H18FN3O4S and a molecular weight of 355.39 g/mol. Its IUPAC name is 4-fluoro-5-hydroxy-1-methyl-N-(4-methyl-1,1-dioxothian-4-yl)benzimidazole-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-5-hydroxy-1-methyl-N-(4-methyl-1,1-dioxothian-4-yl)benzimidazole-2-carboxamide
PubChem CID171655480
Molecular FormulaC15H18FN3O4S
Molecular Weight355.39 g/mol
Exact Mass355.10
IUPAC Name4-fluoro-5-hydroxy-1-methyl-N-(4-methyl-1,1-dioxothian-4-yl)benzimidazole-2-carboxamide
SMILESCn1c(C(=O)NC2(C)CCS(=O)(=O)CC2)nc2c(F)c(O)ccc21
InChIInChI=1S/C15H18FN3O4S/c1-15(5-7-24(22,23)8-6-15)18-14(21)13-17-12-9(19(13)2)3-4-10(20)11(12)16/h3-4,20H,5-8H2,1-2H3,(H,18,21)
InChIKeyYEKMGVOGAHVNJU-UHFFFAOYSA-N
XLogP1.12
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-5-oxo-4H-imidazo[4,5-b]pyridine-2-carboxamide
CID 171655346
1,7-dimethyl-N-(4-methyl-1,1-dioxothian-4-yl)-6-phenylmethoxyimidazo[4,5-b]pyridine-2-carboxamide
CID 171655386
6-[[5-fluoro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-1,7-dimethyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[4,5-b]pyridine-2-carboxamide
CID 171655207
1-(3-fluorophenyl)-N-(4-methyl-1,1-dioxothian-4-yl)-2-oxo-3-propan-2-ylbenzimidazole-5-carboxamide
CID 163200527
2,6-dibromo-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-4-carboxamide
CID 140870093
6-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-2-carboxamide
CID 62240532
4-hydroxy-3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
CID 103951728
5-[(2S)-2-(2,2-difluoroethoxy)-4,4,4-trifluorobutoxy]-3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[4,5-b]pyridine-2-carboxamide
CID 171655476
4-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
CID 60716553
1-N,2-N-bis[(3S)-3-methyl-1,1-dioxothiolan-3-yl]benzene-1,2-dicarboxamide
CID 2362502
2-fluoro-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-carboxamide
CID 107358572
3-[3-(difluoromethoxy)phenyl]-N-(4-methyl-1,1-dioxothian-4-yl)-2-oxo-1-propan-2-ylimidazo[4,5-c]pyridine-6-carboxamide
CID 163200596

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-hydroxy-1-methyl-N-(4-methyl-1,1-dioxothian-4-yl)benzimidazole-2-carboxamide?
The IUPAC name of 4-fluoro-5-hydroxy-1-methyl-N-(4-methyl-1,1-dioxothian-4-yl)benzimidazole-2-carboxamide (CID 171655480) is 4-fluoro-5-hydroxy-1-methyl-N-(4-methyl-1,1-dioxothian-4-yl)benzimidazole-2-carboxamide.
What is the SMILES notation for 4-fluoro-5-hydroxy-1-methyl-N-(4-methyl-1,1-dioxothian-4-yl)benzimidazole-2-carboxamide?
The canonical SMILES for 4-fluoro-5-hydroxy-1-methyl-N-(4-methyl-1,1-dioxothian-4-yl)benzimidazole-2-carboxamide is Cn1c(C(=O)NC2(C)CCS(=O)(=O)CC2)nc2c(F)c(O)ccc21.
What is the InChIKey of 4-fluoro-5-hydroxy-1-methyl-N-(4-methyl-1,1-dioxothian-4-yl)benzimidazole-2-carboxamide?
The InChIKey is YEKMGVOGAHVNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O4S/c1-15(5-7-24(22,23)8-6-15)18-14(21)13-17-12-9(19(13)2)3-4-10(20)11(12)16/h3-4,20H,5-8H2,1-2H3,(H,18,21).
What are the key properties of 4-fluoro-5-hydroxy-1-methyl-N-(4-methyl-1,1-dioxothian-4-yl)benzimidazole-2-carboxamide?
4-fluoro-5-hydroxy-1-methyl-N-(4-methyl-1,1-dioxothian-4-yl)benzimidazole-2-carboxamide has a molecular weight of 355.39 g/mol, XLogP of 1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-hydroxy-1-methyl-N-(4-methyl-1,1-dioxothian-4-yl)benzimidazole-2-carboxamide is sourced from PubChem (CID 171655480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).