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

C21H30FN3O2 — CID 24754040

IUPAC7-fluoro-3-[1-(4-methoxy-1-methylcyclohexyl)piperidin-4-yl]-5-methyl-1H-benzimidazol-2-one
SMILESCOC1CCC(C)(N2CCC(n3c(=O)[nH]c4c(F)cc(C)cc43)CC2)CC1
InChIInChI=1S/C21H30FN3O2/c1-14-12-17(22)19-18(13-14)25(20(26)23-19)15-6-10-24(11-7-15)21(2)8-4-16(27-3)5-9-21/h12-13,15-16H,4-11H2,1-3H3,(H,23,26)
InChIKeyCWXORCHLHPOZPJ-UHFFFAOYSA-N
MW375.49 g/mol
LogP3.76
Rot. Bonds3

About 7-fluoro-3-[1-(4-methoxy-1-methylcyclohexyl)piperidin-4-yl]-5-methyl-1H-benzimidazol-2-one

7-fluoro-3-[1-(4-methoxy-1-methylcyclohexyl)piperidin-4-yl]-5-methyl-1H-benzimidazol-2-one (PubChem CID 24754040) has the molecular formula C21H30FN3O2 and a molecular weight of 375.49 g/mol. Its IUPAC name is 7-fluoro-3-[1-(4-methoxy-1-methylcyclohexyl)piperidin-4-yl]-5-methyl-1H-benzimidazol-2-one.

Molecular Properties

Compound Name7-fluoro-3-[1-(4-methoxy-1-methylcyclohexyl)piperidin-4-yl]-5-methyl-1H-benzimidazol-2-one
PubChem CID24754040
Molecular FormulaC21H30FN3O2
Molecular Weight375.49 g/mol
Exact Mass375.23
IUPAC Name7-fluoro-3-[1-(4-methoxy-1-methylcyclohexyl)piperidin-4-yl]-5-methyl-1H-benzimidazol-2-one
SMILESCOC1CCC(C)(N2CCC(n3c(=O)[nH]c4c(F)cc(C)cc43)CC2)CC1
InChIInChI=1S/C21H30FN3O2/c1-14-12-17(22)19-18(13-14)25(20(26)23-19)15-6-10-24(11-7-15)21(2)8-4-16(27-3)5-9-21/h12-13,15-16H,4-11H2,1-3H3,(H,23,26)
InChIKeyCWXORCHLHPOZPJ-UHFFFAOYSA-N
XLogP3.76
TPSA50.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-[1-(4-methoxy-1-methylcyclohexyl)piperidin-4-yl]-5-methyl-1H-benzimidazol-2-one?
The IUPAC name of 7-fluoro-3-[1-(4-methoxy-1-methylcyclohexyl)piperidin-4-yl]-5-methyl-1H-benzimidazol-2-one (CID 24754040) is 7-fluoro-3-[1-(4-methoxy-1-methylcyclohexyl)piperidin-4-yl]-5-methyl-1H-benzimidazol-2-one.
What is the SMILES notation for 7-fluoro-3-[1-(4-methoxy-1-methylcyclohexyl)piperidin-4-yl]-5-methyl-1H-benzimidazol-2-one?
The canonical SMILES for 7-fluoro-3-[1-(4-methoxy-1-methylcyclohexyl)piperidin-4-yl]-5-methyl-1H-benzimidazol-2-one is COC1CCC(C)(N2CCC(n3c(=O)[nH]c4c(F)cc(C)cc43)CC2)CC1.
What is the InChIKey of 7-fluoro-3-[1-(4-methoxy-1-methylcyclohexyl)piperidin-4-yl]-5-methyl-1H-benzimidazol-2-one?
The InChIKey is CWXORCHLHPOZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30FN3O2/c1-14-12-17(22)19-18(13-14)25(20(26)23-19)15-6-10-24(11-7-15)21(2)8-4-16(27-3)5-9-21/h12-13,15-16H,4-11H2,1-3H3,(H,23,26).
What are the key properties of 7-fluoro-3-[1-(4-methoxy-1-methylcyclohexyl)piperidin-4-yl]-5-methyl-1H-benzimidazol-2-one?
7-fluoro-3-[1-(4-methoxy-1-methylcyclohexyl)piperidin-4-yl]-5-methyl-1H-benzimidazol-2-one has a molecular weight of 375.49 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-[1-(4-methoxy-1-methylcyclohexyl)piperidin-4-yl]-5-methyl-1H-benzimidazol-2-one is sourced from PubChem (CID 24754040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).