N-(cyclohexylmethyl)-1-(5,6-dichloro-1H-benzimidazol-2-yl)piperidine-4-carboxamide

C20H26Cl2N4O — CID 67034029

IUPACN-(cyclohexylmethyl)-1-(5,6-dichloro-1H-benzimidazol-2-yl)piperidine-4-carboxamide
SMILESO=C(NCC1CCCCC1)C1CCN(c2nc3cc(Cl)c(Cl)cc3[nH]2)CC1
InChIInChI=1S/C20H26Cl2N4O/c21-15-10-17-18(11-16(15)22)25-20(24-17)26-8-6-14(7-9-26)19(27)23-12-13-4-2-1-3-5-13/h10-11,13-14H,1-9,12H2,(H,23,27)(H,24,25)
InChIKeyPOKOJURNGFJIJL-UHFFFAOYSA-N
MW409.36 g/mol
LogP4.78
Rot. Bonds4

About N-(cyclohexylmethyl)-1-(5,6-dichloro-1H-benzimidazol-2-yl)piperidine-4-carboxamide

N-(cyclohexylmethyl)-1-(5,6-dichloro-1H-benzimidazol-2-yl)piperidine-4-carboxamide (PubChem CID 67034029) has the molecular formula C20H26Cl2N4O and a molecular weight of 409.36 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-1-(5,6-dichloro-1H-benzimidazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-1-(5,6-dichloro-1H-benzimidazol-2-yl)piperidine-4-carboxamide
PubChem CID67034029
Molecular FormulaC20H26Cl2N4O
Molecular Weight409.36 g/mol
Exact Mass408.15
IUPAC NameN-(cyclohexylmethyl)-1-(5,6-dichloro-1H-benzimidazol-2-yl)piperidine-4-carboxamide
SMILESO=C(NCC1CCCCC1)C1CCN(c2nc3cc(Cl)c(Cl)cc3[nH]2)CC1
InChIInChI=1S/C20H26Cl2N4O/c21-15-10-17-18(11-16(15)22)25-20(24-17)26-8-6-14(7-9-26)19(27)23-12-13-4-2-1-3-5-13/h10-11,13-14H,1-9,12H2,(H,23,27)(H,24,25)
InChIKeyPOKOJURNGFJIJL-UHFFFAOYSA-N
XLogP4.78
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.36
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-1-(5,6-dichloro-1H-benzimidazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-1-(5,6-dichloro-1H-benzimidazol-2-yl)piperidine-4-carboxamide (CID 67034029) is N-(cyclohexylmethyl)-1-(5,6-dichloro-1H-benzimidazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-1-(5,6-dichloro-1H-benzimidazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-1-(5,6-dichloro-1H-benzimidazol-2-yl)piperidine-4-carboxamide is O=C(NCC1CCCCC1)C1CCN(c2nc3cc(Cl)c(Cl)cc3[nH]2)CC1.
What is the InChIKey of N-(cyclohexylmethyl)-1-(5,6-dichloro-1H-benzimidazol-2-yl)piperidine-4-carboxamide?
The InChIKey is POKOJURNGFJIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26Cl2N4O/c21-15-10-17-18(11-16(15)22)25-20(24-17)26-8-6-14(7-9-26)19(27)23-12-13-4-2-1-3-5-13/h10-11,13-14H,1-9,12H2,(H,23,27)(H,24,25).
What are the key properties of N-(cyclohexylmethyl)-1-(5,6-dichloro-1H-benzimidazol-2-yl)piperidine-4-carboxamide?
N-(cyclohexylmethyl)-1-(5,6-dichloro-1H-benzimidazol-2-yl)piperidine-4-carboxamide has a molecular weight of 409.36 g/mol, XLogP of 4.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-1-(5,6-dichloro-1H-benzimidazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 67034029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).