5-fluoro-3-[1-(4-methoxy-1-methylcyclohexyl)piperidin-4-yl]-1H-benzimidazol-2-one

C20H28FN3O2 — CID 24781449

IUPAC5-fluoro-3-[1-(4-methoxy-1-methylcyclohexyl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCOC1CCC(C)(N2CCC(n3c(=O)[nH]c4ccc(F)cc43)CC2)CC1
InChIInChI=1S/C20H28FN3O2/c1-20(9-5-16(26-2)6-10-20)23-11-7-15(8-12-23)24-18-13-14(21)3-4-17(18)22-19(24)25/h3-4,13,15-16H,5-12H2,1-2H3,(H,22,25)
InChIKeyQGYTWKWJMMNZBR-UHFFFAOYSA-N
MW361.46 g/mol
LogP3.45
Rot. Bonds3

About 5-fluoro-3-[1-(4-methoxy-1-methylcyclohexyl)piperidin-4-yl]-1H-benzimidazol-2-one

5-fluoro-3-[1-(4-methoxy-1-methylcyclohexyl)piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 24781449) has the molecular formula C20H28FN3O2 and a molecular weight of 361.46 g/mol. Its IUPAC name is 5-fluoro-3-[1-(4-methoxy-1-methylcyclohexyl)piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name5-fluoro-3-[1-(4-methoxy-1-methylcyclohexyl)piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID24781449
Molecular FormulaC20H28FN3O2
Molecular Weight361.46 g/mol
Exact Mass361.22
IUPAC Name5-fluoro-3-[1-(4-methoxy-1-methylcyclohexyl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCOC1CCC(C)(N2CCC(n3c(=O)[nH]c4ccc(F)cc43)CC2)CC1
InChIInChI=1S/C20H28FN3O2/c1-20(9-5-16(26-2)6-10-20)23-11-7-15(8-12-23)24-18-13-14(21)3-4-17(18)22-19(24)25/h3-4,13,15-16H,5-12H2,1-2H3,(H,22,25)
InChIKeyQGYTWKWJMMNZBR-UHFFFAOYSA-N
XLogP3.45
TPSA50.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-[1-(4-methoxy-1-methylcyclohexyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 5-fluoro-3-[1-(4-methoxy-1-methylcyclohexyl)piperidin-4-yl]-1H-benzimidazol-2-one (CID 24781449) is 5-fluoro-3-[1-(4-methoxy-1-methylcyclohexyl)piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 5-fluoro-3-[1-(4-methoxy-1-methylcyclohexyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 5-fluoro-3-[1-(4-methoxy-1-methylcyclohexyl)piperidin-4-yl]-1H-benzimidazol-2-one is COC1CCC(C)(N2CCC(n3c(=O)[nH]c4ccc(F)cc43)CC2)CC1.
What is the InChIKey of 5-fluoro-3-[1-(4-methoxy-1-methylcyclohexyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is QGYTWKWJMMNZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN3O2/c1-20(9-5-16(26-2)6-10-20)23-11-7-15(8-12-23)24-18-13-14(21)3-4-17(18)22-19(24)25/h3-4,13,15-16H,5-12H2,1-2H3,(H,22,25).
What are the key properties of 5-fluoro-3-[1-(4-methoxy-1-methylcyclohexyl)piperidin-4-yl]-1H-benzimidazol-2-one?
5-fluoro-3-[1-(4-methoxy-1-methylcyclohexyl)piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 361.46 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-[1-(4-methoxy-1-methylcyclohexyl)piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 24781449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).