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

C23H34FN3O2 — CID 24753961

IUPAC7-fluoro-5-methyl-3-[1-(1-methyl-4-propoxycyclohexyl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCCCOC1CCC(C)(N2CCC(n3c(=O)[nH]c4c(F)cc(C)cc43)CC2)CC1
InChIInChI=1S/C23H34FN3O2/c1-4-13-29-18-5-9-23(3,10-6-18)26-11-7-17(8-12-26)27-20-15-16(2)14-19(24)21(20)25-22(27)28/h14-15,17-18H,4-13H2,1-3H3,(H,25,28)
InChIKeyQYYBUISYRVWDTP-UHFFFAOYSA-N
MW403.54 g/mol
LogP4.54
Rot. Bonds5

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

7-fluoro-5-methyl-3-[1-(1-methyl-4-propoxycyclohexyl)piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 24753961) has the molecular formula C23H34FN3O2 and a molecular weight of 403.54 g/mol. Its IUPAC name is 7-fluoro-5-methyl-3-[1-(1-methyl-4-propoxycyclohexyl)piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name7-fluoro-5-methyl-3-[1-(1-methyl-4-propoxycyclohexyl)piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID24753961
Molecular FormulaC23H34FN3O2
Molecular Weight403.54 g/mol
Exact Mass403.26
IUPAC Name7-fluoro-5-methyl-3-[1-(1-methyl-4-propoxycyclohexyl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCCCOC1CCC(C)(N2CCC(n3c(=O)[nH]c4c(F)cc(C)cc43)CC2)CC1
InChIInChI=1S/C23H34FN3O2/c1-4-13-29-18-5-9-23(3,10-6-18)26-11-7-17(8-12-26)27-20-15-16(2)14-19(24)21(20)25-22(27)28/h14-15,17-18H,4-13H2,1-3H3,(H,25,28)
InChIKeyQYYBUISYRVWDTP-UHFFFAOYSA-N
XLogP4.54
TPSA50.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.54
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

6-fluoro-5-methyl-3-[1-(1-methyl-4-propoxycyclohexyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 24967746
5-Fluoro-6-methyl-1-[1-(tetrahydropyran-4-yl)-piperidin-4-yl]-1,3-dihydrobenzimidazol-2-one
CID 16071018
6-Methyl-1-[1-(tetrahydropyran-4-yl)-piperidin-4-yl]-1,3-dihydrobenzimidazol-2-one
CID 16123945
Gsk 1034702
CID 16038386
2H-Benzimidazol-2-one, 4-fluoro-1,3-dihydro-6-(methyl-11C)-1-(1-(tetrahydro-2H-pyran-4-yl)-4-piperidinyl)-
CID 72942036
3-[1-[[4-(cyclopropylmethoxy)cyclohexyl]methyl]piperidin-4-yl]-5-methyl-1H-benzimidazol-2-one
CID 163657672
1-(trans-4-hydroxycyclohexyl)-5-trifluoromethyl-2,3-dihydro-1H-benzimidazol-2-one
CID 11266552
ethyl 4-[1,3-dihydro-2-oxo-5-(trifluoromethyl)-2H-benzimidazol-1-yl]-1-piperidinecarboxylate
CID 13792185
4,5-difluoro-6-methyl-1-(1-(tetrahydro-2H-pyran-4-yl)piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one
CID 16069213
6-cyclopropyl-4-fluoro-1-(1-(tetrahydro-2H-pyran-4-yl)piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one
CID 16069214
4,5-difluoro-6-methyl-1-(1-(4-methyltetrahydro-2H-pyran-4-yl)piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one
CID 16069215
6-methyl-1-[1-(tetrahydro-2H-pyran-4-yl)-4-piperidinyl]-5-(trifluoromethyl)-1,3-dihydro-2H-benzimidazol-2-one
CID 16071134

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-5-methyl-3-[1-(1-methyl-4-propoxycyclohexyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 7-fluoro-5-methyl-3-[1-(1-methyl-4-propoxycyclohexyl)piperidin-4-yl]-1H-benzimidazol-2-one (CID 24753961) is 7-fluoro-5-methyl-3-[1-(1-methyl-4-propoxycyclohexyl)piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 7-fluoro-5-methyl-3-[1-(1-methyl-4-propoxycyclohexyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 7-fluoro-5-methyl-3-[1-(1-methyl-4-propoxycyclohexyl)piperidin-4-yl]-1H-benzimidazol-2-one is CCCOC1CCC(C)(N2CCC(n3c(=O)[nH]c4c(F)cc(C)cc43)CC2)CC1.
What is the InChIKey of 7-fluoro-5-methyl-3-[1-(1-methyl-4-propoxycyclohexyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is QYYBUISYRVWDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34FN3O2/c1-4-13-29-18-5-9-23(3,10-6-18)26-11-7-17(8-12-26)27-20-15-16(2)14-19(24)21(20)25-22(27)28/h14-15,17-18H,4-13H2,1-3H3,(H,25,28).
What are the key properties of 7-fluoro-5-methyl-3-[1-(1-methyl-4-propoxycyclohexyl)piperidin-4-yl]-1H-benzimidazol-2-one?
7-fluoro-5-methyl-3-[1-(1-methyl-4-propoxycyclohexyl)piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 403.54 g/mol, XLogP of 4.54, 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-(1-methyl-4-propoxycyclohexyl)piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 24753961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).