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

C19H26FN3O — CID 69091210

IUPAC7-fluoro-3-[1-(4-methylcyclohexyl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCC1CCC(N2CCC(n3c(=O)[nH]c4c(F)cccc43)CC2)CC1
InChIInChI=1S/C19H26FN3O/c1-13-5-7-14(8-6-13)22-11-9-15(10-12-22)23-17-4-2-3-16(20)18(17)21-19(23)24/h2-4,13-15H,5-12H2,1H3,(H,21,24)
InChIKeyQKYKXOFBZRVNPG-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.68
Rot. Bonds2

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

7-fluoro-3-[1-(4-methylcyclohexyl)piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 69091210) has the molecular formula C19H26FN3O and a molecular weight of 331.44 g/mol. Its IUPAC name is 7-fluoro-3-[1-(4-methylcyclohexyl)piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name7-fluoro-3-[1-(4-methylcyclohexyl)piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID69091210
Molecular FormulaC19H26FN3O
Molecular Weight331.44 g/mol
Exact Mass331.21
IUPAC Name7-fluoro-3-[1-(4-methylcyclohexyl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCC1CCC(N2CCC(n3c(=O)[nH]c4c(F)cccc43)CC2)CC1
InChIInChI=1S/C19H26FN3O/c1-13-5-7-14(8-6-13)22-11-9-15(10-12-22)23-17-4-2-3-16(20)18(17)21-19(23)24/h2-4,13-15H,5-12H2,1H3,(H,21,24)
InChIKeyQKYKXOFBZRVNPG-UHFFFAOYSA-N
XLogP3.68
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-[1-(4-methylcyclohexyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 7-fluoro-3-[1-(4-methylcyclohexyl)piperidin-4-yl]-1H-benzimidazol-2-one (CID 69091210) is 7-fluoro-3-[1-(4-methylcyclohexyl)piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 7-fluoro-3-[1-(4-methylcyclohexyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 7-fluoro-3-[1-(4-methylcyclohexyl)piperidin-4-yl]-1H-benzimidazol-2-one is CC1CCC(N2CCC(n3c(=O)[nH]c4c(F)cccc43)CC2)CC1.
What is the InChIKey of 7-fluoro-3-[1-(4-methylcyclohexyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is QKYKXOFBZRVNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O/c1-13-5-7-14(8-6-13)22-11-9-15(10-12-22)23-17-4-2-3-16(20)18(17)21-19(23)24/h2-4,13-15H,5-12H2,1H3,(H,21,24).
What are the key properties of 7-fluoro-3-[1-(4-methylcyclohexyl)piperidin-4-yl]-1H-benzimidazol-2-one?
7-fluoro-3-[1-(4-methylcyclohexyl)piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 331.44 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-[1-(4-methylcyclohexyl)piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 69091210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).