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

C22H32FN3O2 — CID 24753960

IUPAC7-fluoro-5-methyl-3-[1-(4-propoxycyclohexyl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCCCOC1CCC(N2CCC(n3c(=O)[nH]c4c(F)cc(C)cc43)CC2)CC1
InChIInChI=1S/C22H32FN3O2/c1-3-12-28-18-6-4-16(5-7-18)25-10-8-17(9-11-25)26-20-14-15(2)13-19(23)21(20)24-22(26)27/h13-14,16-18H,3-12H2,1-2H3,(H,24,27)
InChIKeyQLNUDTKQNMQQSV-UHFFFAOYSA-N
MW389.52 g/mol
LogP4.15
Rot. Bonds5

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

7-fluoro-5-methyl-3-[1-(4-propoxycyclohexyl)piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 24753960) has the molecular formula C22H32FN3O2 and a molecular weight of 389.52 g/mol. Its IUPAC name is 7-fluoro-5-methyl-3-[1-(4-propoxycyclohexyl)piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name7-fluoro-5-methyl-3-[1-(4-propoxycyclohexyl)piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID24753960
Molecular FormulaC22H32FN3O2
Molecular Weight389.52 g/mol
Exact Mass389.25
IUPAC Name7-fluoro-5-methyl-3-[1-(4-propoxycyclohexyl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCCCOC1CCC(N2CCC(n3c(=O)[nH]c4c(F)cc(C)cc43)CC2)CC1
InChIInChI=1S/C22H32FN3O2/c1-3-12-28-18-6-4-16(5-7-18)25-10-8-17(9-11-25)26-20-14-15(2)13-19(23)21(20)24-22(26)27/h13-14,16-18H,3-12H2,1-2H3,(H,24,27)
InChIKeyQLNUDTKQNMQQSV-UHFFFAOYSA-N
XLogP4.15
TPSA50.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-fluoro-5-methyl-3-[1-(4-propoxycyclohexyl)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-5-methyl-3-[1-(4-propoxycyclohexyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 7-fluoro-5-methyl-3-[1-(4-propoxycyclohexyl)piperidin-4-yl]-1H-benzimidazol-2-one (CID 24753960) is 7-fluoro-5-methyl-3-[1-(4-propoxycyclohexyl)piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 7-fluoro-5-methyl-3-[1-(4-propoxycyclohexyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 7-fluoro-5-methyl-3-[1-(4-propoxycyclohexyl)piperidin-4-yl]-1H-benzimidazol-2-one is CCCOC1CCC(N2CCC(n3c(=O)[nH]c4c(F)cc(C)cc43)CC2)CC1.
What is the InChIKey of 7-fluoro-5-methyl-3-[1-(4-propoxycyclohexyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is QLNUDTKQNMQQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32FN3O2/c1-3-12-28-18-6-4-16(5-7-18)25-10-8-17(9-11-25)26-20-14-15(2)13-19(23)21(20)24-22(26)27/h13-14,16-18H,3-12H2,1-2H3,(H,24,27).
What are the key properties of 7-fluoro-5-methyl-3-[1-(4-propoxycyclohexyl)piperidin-4-yl]-1H-benzimidazol-2-one?
7-fluoro-5-methyl-3-[1-(4-propoxycyclohexyl)piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 389.52 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-5-methyl-3-[1-(4-propoxycyclohexyl)piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 24753960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).