6-fluoro-5-methoxy-1-methyl-3-[[4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]benzimidazol-2-one

C23H24FN5O3 — CID 66556301

IUPAC6-fluoro-5-methoxy-1-methyl-3-[[4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]benzimidazol-2-one
SMILESCOc1cc2c(cc1F)n(C)c(=O)n2CC1CCC(c2nnc(-c3cccnc3)o2)CC1
InChIInChI=1S/C23H24FN5O3/c1-28-18-10-17(24)20(31-2)11-19(18)29(23(28)30)13-14-5-7-15(8-6-14)21-26-27-22(32-21)16-4-3-9-25-12-16/h3-4,9-12,14-15H,5-8,13H2,1-2H3
InChIKeyUGYDFKZGEAVEBK-UHFFFAOYSA-N
MW437.48 g/mol
LogP3.91
Rot. Bonds5

About 6-fluoro-5-methoxy-1-methyl-3-[[4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]benzimidazol-2-one

6-fluoro-5-methoxy-1-methyl-3-[[4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]benzimidazol-2-one (PubChem CID 66556301) has the molecular formula C23H24FN5O3 and a molecular weight of 437.48 g/mol. Its IUPAC name is 6-fluoro-5-methoxy-1-methyl-3-[[4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]benzimidazol-2-one.

Molecular Properties

Compound Name6-fluoro-5-methoxy-1-methyl-3-[[4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]benzimidazol-2-one
PubChem CID66556301
Molecular FormulaC23H24FN5O3
Molecular Weight437.48 g/mol
Exact Mass437.19
IUPAC Name6-fluoro-5-methoxy-1-methyl-3-[[4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]benzimidazol-2-one
SMILESCOc1cc2c(cc1F)n(C)c(=O)n2CC1CCC(c2nnc(-c3cccnc3)o2)CC1
InChIInChI=1S/C23H24FN5O3/c1-28-18-10-17(24)20(31-2)11-19(18)29(23(28)30)13-14-5-7-15(8-6-14)21-26-27-22(32-21)16-4-3-9-25-12-16/h3-4,9-12,14-15H,5-8,13H2,1-2H3
InChIKeyUGYDFKZGEAVEBK-UHFFFAOYSA-N
XLogP3.91
TPSA87.97 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.48
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-methoxy-1-methyl-3-[[4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]benzimidazol-2-one?
The IUPAC name of 6-fluoro-5-methoxy-1-methyl-3-[[4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]benzimidazol-2-one (CID 66556301) is 6-fluoro-5-methoxy-1-methyl-3-[[4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]benzimidazol-2-one.
What is the SMILES notation for 6-fluoro-5-methoxy-1-methyl-3-[[4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]benzimidazol-2-one?
The canonical SMILES for 6-fluoro-5-methoxy-1-methyl-3-[[4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]benzimidazol-2-one is COc1cc2c(cc1F)n(C)c(=O)n2CC1CCC(c2nnc(-c3cccnc3)o2)CC1.
What is the InChIKey of 6-fluoro-5-methoxy-1-methyl-3-[[4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]benzimidazol-2-one?
The InChIKey is UGYDFKZGEAVEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O3/c1-28-18-10-17(24)20(31-2)11-19(18)29(23(28)30)13-14-5-7-15(8-6-14)21-26-27-22(32-21)16-4-3-9-25-12-16/h3-4,9-12,14-15H,5-8,13H2,1-2H3.
What are the key properties of 6-fluoro-5-methoxy-1-methyl-3-[[4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]benzimidazol-2-one?
6-fluoro-5-methoxy-1-methyl-3-[[4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]benzimidazol-2-one has a molecular weight of 437.48 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-methoxy-1-methyl-3-[[4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]benzimidazol-2-one is sourced from PubChem (CID 66556301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).