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

C20H28FN3O2 — CID 24754042

IUPAC7-fluoro-3-[1-(4-methoxy-1-methylcyclohexyl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCOC1CCC(C)(N2CCC(n3c(=O)[nH]c4c(F)cccc43)CC2)CC1
InChIInChI=1S/C20H28FN3O2/c1-20(10-6-15(26-2)7-11-20)23-12-8-14(9-13-23)24-17-5-3-4-16(21)18(17)22-19(24)25/h3-5,14-15H,6-13H2,1-2H3,(H,22,25)
InChIKeyFRHREJNRUPXRRC-UHFFFAOYSA-N
MW361.46 g/mol
LogP3.45
Rot. Bonds3

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

7-fluoro-3-[1-(4-methoxy-1-methylcyclohexyl)piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 24754042) has the molecular formula C20H28FN3O2 and a molecular weight of 361.46 g/mol. Its IUPAC name is 7-fluoro-3-[1-(4-methoxy-1-methylcyclohexyl)piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name7-fluoro-3-[1-(4-methoxy-1-methylcyclohexyl)piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID24754042
Molecular FormulaC20H28FN3O2
Molecular Weight361.46 g/mol
Exact Mass361.22
IUPAC Name7-fluoro-3-[1-(4-methoxy-1-methylcyclohexyl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCOC1CCC(C)(N2CCC(n3c(=O)[nH]c4c(F)cccc43)CC2)CC1
InChIInChI=1S/C20H28FN3O2/c1-20(10-6-15(26-2)7-11-20)23-12-8-14(9-13-23)24-17-5-3-4-16(21)18(17)22-19(24)25/h3-5,14-15H,6-13H2,1-2H3,(H,22,25)
InChIKeyFRHREJNRUPXRRC-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-[1-(4-methoxy-1-methylcyclohexyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 7-fluoro-3-[1-(4-methoxy-1-methylcyclohexyl)piperidin-4-yl]-1H-benzimidazol-2-one (CID 24754042) is 7-fluoro-3-[1-(4-methoxy-1-methylcyclohexyl)piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 7-fluoro-3-[1-(4-methoxy-1-methylcyclohexyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 7-fluoro-3-[1-(4-methoxy-1-methylcyclohexyl)piperidin-4-yl]-1H-benzimidazol-2-one is COC1CCC(C)(N2CCC(n3c(=O)[nH]c4c(F)cccc43)CC2)CC1.
What is the InChIKey of 7-fluoro-3-[1-(4-methoxy-1-methylcyclohexyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is FRHREJNRUPXRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN3O2/c1-20(10-6-15(26-2)7-11-20)23-12-8-14(9-13-23)24-17-5-3-4-16(21)18(17)22-19(24)25/h3-5,14-15H,6-13H2,1-2H3,(H,22,25).
What are the key properties of 7-fluoro-3-[1-(4-methoxy-1-methylcyclohexyl)piperidin-4-yl]-1H-benzimidazol-2-one?
7-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 7-fluoro-3-[1-(4-methoxy-1-methylcyclohexyl)piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 24754042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).