1-[3-(difluoromethoxy)phenyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-2-oxo-3-propan-2-ylbenzimidazole-5-carboxamide

C23H25F2N3O4 — CID 164735102

IUPAC1-[3-(difluoromethoxy)phenyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-2-oxo-3-propan-2-ylbenzimidazole-5-carboxamide
SMILESCC(C)n1c(=O)n(-c2cccc(OC(F)F)c2)c2ccc(C(=O)N[C@H]3CCC[C@@H]3O)cc21
InChIInChI=1S/C23H25F2N3O4/c1-13(2)27-19-11-14(21(30)26-17-7-4-8-20(17)29)9-10-18(19)28(23(27)31)15-5-3-6-16(12-15)32-22(24)25/h3,5-6,9-13,17,20,22,29H,4,7-8H2,1-2H3,(H,26,30)/t17-,20-/m0/s1
InChIKeyCFSHHLXTXXYTOW-PXNSSMCTSA-N
MW445.47 g/mol
LogP3.62
Rot. Bonds6

About 1-[3-(difluoromethoxy)phenyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-2-oxo-3-propan-2-ylbenzimidazole-5-carboxamide

1-[3-(difluoromethoxy)phenyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-2-oxo-3-propan-2-ylbenzimidazole-5-carboxamide (PubChem CID 164735102) has the molecular formula C23H25F2N3O4 and a molecular weight of 445.47 g/mol. Its IUPAC name is 1-[3-(difluoromethoxy)phenyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-2-oxo-3-propan-2-ylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-[3-(difluoromethoxy)phenyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-2-oxo-3-propan-2-ylbenzimidazole-5-carboxamide
PubChem CID164735102
Molecular FormulaC23H25F2N3O4
Molecular Weight445.47 g/mol
Exact Mass445.18
IUPAC Name1-[3-(difluoromethoxy)phenyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-2-oxo-3-propan-2-ylbenzimidazole-5-carboxamide
SMILESCC(C)n1c(=O)n(-c2cccc(OC(F)F)c2)c2ccc(C(=O)N[C@H]3CCC[C@@H]3O)cc21
InChIInChI=1S/C23H25F2N3O4/c1-13(2)27-19-11-14(21(30)26-17-7-4-8-20(17)29)9-10-18(19)28(23(27)31)15-5-3-6-16(12-15)32-22(24)25/h3,5-6,9-13,17,20,22,29H,4,7-8H2,1-2H3,(H,26,30)/t17-,20-/m0/s1
InChIKeyCFSHHLXTXXYTOW-PXNSSMCTSA-N
XLogP3.62
TPSA85.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.47
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[3-(difluoromethoxy)phenyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-2-oxo-3-propan-2-ylbenzimidazole-5-carboxamide with MolForge

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Related Compounds

1-[3-(1-fluoroethoxy)phenyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-2-oxo-3-propan-2-ylbenzimidazole-5-carboxamide
CID 165031529
1-[3-(difluoromethoxy)phenyl]-N-(3-methylthiolan-3-yl)-2-oxo-3-propan-2-ylbenzimidazole-5-carboxamide
CID 175457208
methyl 1-[3-(difluoromethoxy)phenyl]-3-(4-fluorophenyl)-2-oxobenzimidazole-5-carboxylate
CID 164735018
methyl 6-chloro-1-[3-(difluoromethoxy)phenyl]-2-oxo-3-propan-2-ylbenzimidazole-5-carboxylate
CID 163242126
N-(3-methyl-1,1-dioxothietan-3-yl)-2-oxo-3-propan-2-yl-1-(3-propan-2-yloxyphenyl)benzimidazole-5-carboxamide
CID 163242183
3-[(2S)-butan-2-yl]-1-[3-(difluoromethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-2-oxobenzimidazole-5-carboxamide
CID 163200523
1-[3-(difluoromethoxy)phenyl]-3-(3-hydroxy-3-methylbutan-2-yl)-N-(4-methylthian-4-yl)-2-oxobenzimidazole-5-carboxamide
CID 175457154
3-[3-(difluoromethoxy)phenyl]-N-[(2S)-2-hydroxycyclohexyl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide
CID 166854557
3-[3-(difluoromethoxy)phenyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide
CID 162359050
1-[5-(difluoromethoxy)-3-pyridinyl]-N-(1,1-dihydroxy-3-methylthietan-3-yl)-2-oxo-3-propan-2-ylbenzimidazole-5-carboxamide
CID 174231258
3-(difluoromethoxy)-N-[(1R,2R)-2-methylcyclohexyl]benzamide
CID 51537876
1-[3-(difluoromethoxy)phenyl]-3-ethyl-N-(4-methylthian-4-yl)-2-oxobenzimidazole-5-carboxamide
CID 175457159

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethoxy)phenyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-2-oxo-3-propan-2-ylbenzimidazole-5-carboxamide?
The IUPAC name of 1-[3-(difluoromethoxy)phenyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-2-oxo-3-propan-2-ylbenzimidazole-5-carboxamide (CID 164735102) is 1-[3-(difluoromethoxy)phenyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-2-oxo-3-propan-2-ylbenzimidazole-5-carboxamide.
What is the SMILES notation for 1-[3-(difluoromethoxy)phenyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-2-oxo-3-propan-2-ylbenzimidazole-5-carboxamide?
The canonical SMILES for 1-[3-(difluoromethoxy)phenyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-2-oxo-3-propan-2-ylbenzimidazole-5-carboxamide is CC(C)n1c(=O)n(-c2cccc(OC(F)F)c2)c2ccc(C(=O)N[C@H]3CCC[C@@H]3O)cc21.
What is the InChIKey of 1-[3-(difluoromethoxy)phenyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-2-oxo-3-propan-2-ylbenzimidazole-5-carboxamide?
The InChIKey is CFSHHLXTXXYTOW-PXNSSMCTSA-N. The full InChI is InChI=1S/C23H25F2N3O4/c1-13(2)27-19-11-14(21(30)26-17-7-4-8-20(17)29)9-10-18(19)28(23(27)31)15-5-3-6-16(12-15)32-22(24)25/h3,5-6,9-13,17,20,22,29H,4,7-8H2,1-2H3,(H,26,30)/t17-,20-/m0/s1.
What are the key properties of 1-[3-(difluoromethoxy)phenyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-2-oxo-3-propan-2-ylbenzimidazole-5-carboxamide?
1-[3-(difluoromethoxy)phenyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-2-oxo-3-propan-2-ylbenzimidazole-5-carboxamide has a molecular weight of 445.47 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethoxy)phenyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-2-oxo-3-propan-2-ylbenzimidazole-5-carboxamide is sourced from PubChem (CID 164735102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).