2-(cyclohexylmethyl)-1-(5,6-dichloro-1-propan-2-ylbenzimidazol-2-yl)piperidine-4-carboxamide

C23H32Cl2N4O — CID 67034151

IUPAC2-(cyclohexylmethyl)-1-(5,6-dichloro-1-propan-2-ylbenzimidazol-2-yl)piperidine-4-carboxamide
SMILESCC(C)n1c(N2CCC(C(N)=O)CC2CC2CCCCC2)nc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C23H32Cl2N4O/c1-14(2)29-21-13-19(25)18(24)12-20(21)27-23(29)28-9-8-16(22(26)30)11-17(28)10-15-6-4-3-5-7-15/h12-17H,3-11H2,1-2H3,(H2,26,30)
InChIKeyZACPMGZYOQXUFI-UHFFFAOYSA-N
MW451.44 g/mol
LogP5.96
Rot. Bonds5

About 2-(cyclohexylmethyl)-1-(5,6-dichloro-1-propan-2-ylbenzimidazol-2-yl)piperidine-4-carboxamide

2-(cyclohexylmethyl)-1-(5,6-dichloro-1-propan-2-ylbenzimidazol-2-yl)piperidine-4-carboxamide (PubChem CID 67034151) has the molecular formula C23H32Cl2N4O and a molecular weight of 451.44 g/mol. Its IUPAC name is 2-(cyclohexylmethyl)-1-(5,6-dichloro-1-propan-2-ylbenzimidazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name2-(cyclohexylmethyl)-1-(5,6-dichloro-1-propan-2-ylbenzimidazol-2-yl)piperidine-4-carboxamide
PubChem CID67034151
Molecular FormulaC23H32Cl2N4O
Molecular Weight451.44 g/mol
Exact Mass450.20
IUPAC Name2-(cyclohexylmethyl)-1-(5,6-dichloro-1-propan-2-ylbenzimidazol-2-yl)piperidine-4-carboxamide
SMILESCC(C)n1c(N2CCC(C(N)=O)CC2CC2CCCCC2)nc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C23H32Cl2N4O/c1-14(2)29-21-13-19(25)18(24)12-20(21)27-23(29)28-9-8-16(22(26)30)11-17(28)10-15-6-4-3-5-7-15/h12-17H,3-11H2,1-2H3,(H2,26,30)
InChIKeyZACPMGZYOQXUFI-UHFFFAOYSA-N
XLogP5.96
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.44
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethyl)-1-(5,6-dichloro-1-propan-2-ylbenzimidazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of 2-(cyclohexylmethyl)-1-(5,6-dichloro-1-propan-2-ylbenzimidazol-2-yl)piperidine-4-carboxamide (CID 67034151) is 2-(cyclohexylmethyl)-1-(5,6-dichloro-1-propan-2-ylbenzimidazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 2-(cyclohexylmethyl)-1-(5,6-dichloro-1-propan-2-ylbenzimidazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 2-(cyclohexylmethyl)-1-(5,6-dichloro-1-propan-2-ylbenzimidazol-2-yl)piperidine-4-carboxamide is CC(C)n1c(N2CCC(C(N)=O)CC2CC2CCCCC2)nc2cc(Cl)c(Cl)cc21.
What is the InChIKey of 2-(cyclohexylmethyl)-1-(5,6-dichloro-1-propan-2-ylbenzimidazol-2-yl)piperidine-4-carboxamide?
The InChIKey is ZACPMGZYOQXUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32Cl2N4O/c1-14(2)29-21-13-19(25)18(24)12-20(21)27-23(29)28-9-8-16(22(26)30)11-17(28)10-15-6-4-3-5-7-15/h12-17H,3-11H2,1-2H3,(H2,26,30).
What are the key properties of 2-(cyclohexylmethyl)-1-(5,6-dichloro-1-propan-2-ylbenzimidazol-2-yl)piperidine-4-carboxamide?
2-(cyclohexylmethyl)-1-(5,6-dichloro-1-propan-2-ylbenzimidazol-2-yl)piperidine-4-carboxamide has a molecular weight of 451.44 g/mol, XLogP of 5.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethyl)-1-(5,6-dichloro-1-propan-2-ylbenzimidazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 67034151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).