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

C20H28FN3O2 — CID 24753868

IUPAC7-fluoro-3-[1-(4-methoxycyclohexyl)piperidin-4-yl]-5-methyl-1H-benzimidazol-2-one
SMILESCOC1CCC(N2CCC(n3c(=O)[nH]c4c(F)cc(C)cc43)CC2)CC1
InChIInChI=1S/C20H28FN3O2/c1-13-11-17(21)19-18(12-13)24(20(25)22-19)15-7-9-23(10-8-15)14-3-5-16(26-2)6-4-14/h11-12,14-16H,3-10H2,1-2H3,(H,22,25)
InChIKeyDVMZIAXGARTAAQ-UHFFFAOYSA-N
MW361.46 g/mol
LogP3.37
Rot. Bonds3

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

7-fluoro-3-[1-(4-methoxycyclohexyl)piperidin-4-yl]-5-methyl-1H-benzimidazol-2-one (PubChem CID 24753868) has the molecular formula C20H28FN3O2 and a molecular weight of 361.46 g/mol. Its IUPAC name is 7-fluoro-3-[1-(4-methoxycyclohexyl)piperidin-4-yl]-5-methyl-1H-benzimidazol-2-one.

Molecular Properties

Compound Name7-fluoro-3-[1-(4-methoxycyclohexyl)piperidin-4-yl]-5-methyl-1H-benzimidazol-2-one
PubChem CID24753868
Molecular FormulaC20H28FN3O2
Molecular Weight361.46 g/mol
Exact Mass361.22
IUPAC Name7-fluoro-3-[1-(4-methoxycyclohexyl)piperidin-4-yl]-5-methyl-1H-benzimidazol-2-one
SMILESCOC1CCC(N2CCC(n3c(=O)[nH]c4c(F)cc(C)cc43)CC2)CC1
InChIInChI=1S/C20H28FN3O2/c1-13-11-17(21)19-18(12-13)24(20(25)22-19)15-7-9-23(10-8-15)14-3-5-16(26-2)6-4-14/h11-12,14-16H,3-10H2,1-2H3,(H,22,25)
InChIKeyDVMZIAXGARTAAQ-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
Fluorphine
CID 145964378
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
N-(4-((4-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)methyl)phenyl)acetamide
CID 145976033
N-[2-amino-5-(4-fluorophenyl)phenyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 124186592
N-[2-amino-5-(4-fluorophenyl)phenyl]-2-oxa-8-azaspiro[4.5]decane-8-carboxamide
CID 124186597
tert-butyl 2-[[2-amino-5-(4-fluorophenyl)phenyl]carbamoyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine-5-carboxylate
CID 124186601
N-(3-Fluoro-4-methylphenyl)-1H,2H,3H,3AH,4H,5H-pyrrolo[1,2-A]quinoxaline-5-carboxamide
CID 20940348
4-(2-oxo-3H-benzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 155248619
1-(3-fluorobenzyl)-3-[2-[4-(2-keto-3H-benzimidazol-1-yl)piperidino]ethyl]urea
CID 53470245

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-[1-(4-methoxycyclohexyl)piperidin-4-yl]-5-methyl-1H-benzimidazol-2-one?
The IUPAC name of 7-fluoro-3-[1-(4-methoxycyclohexyl)piperidin-4-yl]-5-methyl-1H-benzimidazol-2-one (CID 24753868) is 7-fluoro-3-[1-(4-methoxycyclohexyl)piperidin-4-yl]-5-methyl-1H-benzimidazol-2-one.
What is the SMILES notation for 7-fluoro-3-[1-(4-methoxycyclohexyl)piperidin-4-yl]-5-methyl-1H-benzimidazol-2-one?
The canonical SMILES for 7-fluoro-3-[1-(4-methoxycyclohexyl)piperidin-4-yl]-5-methyl-1H-benzimidazol-2-one is COC1CCC(N2CCC(n3c(=O)[nH]c4c(F)cc(C)cc43)CC2)CC1.
What is the InChIKey of 7-fluoro-3-[1-(4-methoxycyclohexyl)piperidin-4-yl]-5-methyl-1H-benzimidazol-2-one?
The InChIKey is DVMZIAXGARTAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN3O2/c1-13-11-17(21)19-18(12-13)24(20(25)22-19)15-7-9-23(10-8-15)14-3-5-16(26-2)6-4-14/h11-12,14-16H,3-10H2,1-2H3,(H,22,25).
What are the key properties of 7-fluoro-3-[1-(4-methoxycyclohexyl)piperidin-4-yl]-5-methyl-1H-benzimidazol-2-one?
7-fluoro-3-[1-(4-methoxycyclohexyl)piperidin-4-yl]-5-methyl-1H-benzimidazol-2-one has a molecular weight of 361.46 g/mol, XLogP of 3.37, 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-methoxycyclohexyl)piperidin-4-yl]-5-methyl-1H-benzimidazol-2-one is sourced from PubChem (CID 24753868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).