5-methyl-3-[1-[(1R,3S)-1-methyl-3-propoxycyclohexyl]piperidin-4-yl]-1H-benzimidazol-2-one

C23H35N3O2 — CID 25020317

IUPAC5-methyl-3-[1-[(1R,3S)-1-methyl-3-propoxycyclohexyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCCCO[C@H]1CCC[C@@](C)(N2CCC(n3c(=O)[nH]c4ccc(C)cc43)CC2)C1
InChIInChI=1S/C23H35N3O2/c1-4-14-28-19-6-5-11-23(3,16-19)25-12-9-18(10-13-25)26-21-15-17(2)7-8-20(21)24-22(26)27/h7-8,15,18-19H,4-6,9-14,16H2,1-3H3,(H,24,27)/t19-,23+/m0/s1
InChIKeyOZHNGZYDPGJENH-WMZHIEFXSA-N
MW385.55 g/mol
LogP4.40
Rot. Bonds5

About 5-methyl-3-[1-[(1R,3S)-1-methyl-3-propoxycyclohexyl]piperidin-4-yl]-1H-benzimidazol-2-one

5-methyl-3-[1-[(1R,3S)-1-methyl-3-propoxycyclohexyl]piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 25020317) has the molecular formula C23H35N3O2 and a molecular weight of 385.55 g/mol. Its IUPAC name is 5-methyl-3-[1-[(1R,3S)-1-methyl-3-propoxycyclohexyl]piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name5-methyl-3-[1-[(1R,3S)-1-methyl-3-propoxycyclohexyl]piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID25020317
Molecular FormulaC23H35N3O2
Molecular Weight385.55 g/mol
Exact Mass385.27
IUPAC Name5-methyl-3-[1-[(1R,3S)-1-methyl-3-propoxycyclohexyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCCCO[C@H]1CCC[C@@](C)(N2CCC(n3c(=O)[nH]c4ccc(C)cc43)CC2)C1
InChIInChI=1S/C23H35N3O2/c1-4-14-28-19-6-5-11-23(3,16-19)25-12-9-18(10-13-25)26-21-15-17(2)7-8-20(21)24-22(26)27/h7-8,15,18-19H,4-6,9-14,16H2,1-3H3,(H,24,27)/t19-,23+/m0/s1
InChIKeyOZHNGZYDPGJENH-WMZHIEFXSA-N
XLogP4.40
TPSA50.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.55
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-methyl-3-[1-[(1R,3S)-1-methyl-3-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
(10R)-3-[4-(4-phenylbutoxy)butyl]-10-(propylamino)-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one
CID 137635157
(10R)-10-(methylamino)-3-[4-(4-phenylbutoxy)butyl]-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one
CID 137637481
(10R)-10-(methylamino)-3-[6-(4-phenylbutoxy)hexyl]-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one
CID 137638203
(10R)-10-(methylamino)-3-[12-(4-phenylbutoxy)dodecyl]-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one
CID 137641550
(10R)-10-(methylamino)-3-[10-(4-phenylbutoxy)decyl]-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one
CID 137652517
(10R)-3-[6-(4-phenylbutoxy)hexyl]-10-(propylamino)-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one
CID 137653978
(10R)-10-(methylamino)-3-[8-(4-phenylbutoxy)octyl]-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one
CID 137660395
2H-Benzimidazol-2-one, 4-fluoro-1,3-dihydro-6-(methyl-11C)-1-(1-(tetrahydro-2H-pyran-4-yl)-4-piperidinyl)-
CID 72942036

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[1-[(1R,3S)-1-methyl-3-propoxycyclohexyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 5-methyl-3-[1-[(1R,3S)-1-methyl-3-propoxycyclohexyl]piperidin-4-yl]-1H-benzimidazol-2-one (CID 25020317) is 5-methyl-3-[1-[(1R,3S)-1-methyl-3-propoxycyclohexyl]piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 5-methyl-3-[1-[(1R,3S)-1-methyl-3-propoxycyclohexyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 5-methyl-3-[1-[(1R,3S)-1-methyl-3-propoxycyclohexyl]piperidin-4-yl]-1H-benzimidazol-2-one is CCCO[C@H]1CCC[C@@](C)(N2CCC(n3c(=O)[nH]c4ccc(C)cc43)CC2)C1.
What is the InChIKey of 5-methyl-3-[1-[(1R,3S)-1-methyl-3-propoxycyclohexyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is OZHNGZYDPGJENH-WMZHIEFXSA-N. The full InChI is InChI=1S/C23H35N3O2/c1-4-14-28-19-6-5-11-23(3,16-19)25-12-9-18(10-13-25)26-21-15-17(2)7-8-20(21)24-22(26)27/h7-8,15,18-19H,4-6,9-14,16H2,1-3H3,(H,24,27)/t19-,23+/m0/s1.
What are the key properties of 5-methyl-3-[1-[(1R,3S)-1-methyl-3-propoxycyclohexyl]piperidin-4-yl]-1H-benzimidazol-2-one?
5-methyl-3-[1-[(1R,3S)-1-methyl-3-propoxycyclohexyl]piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 385.55 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[1-[(1R,3S)-1-methyl-3-propoxycyclohexyl]piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 25020317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).