N-[3-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]propyl]cyclohexanecarboxamide

C24H34N4O2 — CID 16981590

IUPACN-[3-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]propyl]cyclohexanecarboxamide
SMILESO=C(NCCCc1nc2ccccc2n1CC(=O)N1CCCCC1)C1CCCCC1
InChIInChI=1S/C24H34N4O2/c29-23(27-16-7-2-8-17-27)18-28-21-13-6-5-12-20(21)26-22(28)14-9-15-25-24(30)19-10-3-1-4-11-19/h5-6,12-13,19H,1-4,7-11,14-18H2,(H,25,30)
InChIKeyIVYYTUODOKXWHU-UHFFFAOYSA-N
MW410.56 g/mol
LogP3.68
Rot. Bonds7

About N-[3-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]propyl]cyclohexanecarboxamide

N-[3-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]propyl]cyclohexanecarboxamide (PubChem CID 16981590) has the molecular formula C24H34N4O2 and a molecular weight of 410.56 g/mol. Its IUPAC name is N-[3-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]propyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[3-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]propyl]cyclohexanecarboxamide
PubChem CID16981590
Molecular FormulaC24H34N4O2
Molecular Weight410.56 g/mol
Exact Mass410.27
IUPAC NameN-[3-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]propyl]cyclohexanecarboxamide
SMILESO=C(NCCCc1nc2ccccc2n1CC(=O)N1CCCCC1)C1CCCCC1
InChIInChI=1S/C24H34N4O2/c29-23(27-16-7-2-8-17-27)18-28-21-13-6-5-12-20(21)26-22(28)14-9-15-25-24(30)19-10-3-1-4-11-19/h5-6,12-13,19H,1-4,7-11,14-18H2,(H,25,30)
InChIKeyIVYYTUODOKXWHU-UHFFFAOYSA-N
XLogP3.68
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]propyl]cyclopropanecarboxamide
CID 16981751
N-[5-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]pentyl]cyclohexanecarboxamide
CID 16989089
N-[5-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]pentyl]cyclohexanecarboxamide
CID 16989093
N-[3-(1-prop-2-ynylbenzimidazol-2-yl)propyl]cyclohexanecarboxamide
CID 16981538
N-[3-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]propyl]oxolane-2-carboxamide
CID 16981912
N-[3-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide
CID 16981753
propan-2-yl 2-[2-[3-(cyclohexanecarbonylamino)propyl]benzimidazol-1-yl]acetate
CID 16981598
methyl 2-[2-[5-(cyclohexanecarbonylamino)pentyl]benzimidazol-1-yl]acetate
CID 16989094
N-[3-(1-hexylbenzimidazol-2-yl)propyl]cyclohexanecarboxamide
CID 18888908
N-[5-(1-prop-2-ynylbenzimidazol-2-yl)pentyl]cyclohexanecarboxamide
CID 16988950
N-[5-(1-ethylbenzimidazol-2-yl)pentyl]cyclohexanecarboxamide
CID 16988943
N-[3-[1-[2-(4-bromoanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide
CID 17031362

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]propyl]cyclohexanecarboxamide?
The IUPAC name of N-[3-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]propyl]cyclohexanecarboxamide (CID 16981590) is N-[3-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]propyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[3-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]propyl]cyclohexanecarboxamide?
The canonical SMILES for N-[3-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]propyl]cyclohexanecarboxamide is O=C(NCCCc1nc2ccccc2n1CC(=O)N1CCCCC1)C1CCCCC1.
What is the InChIKey of N-[3-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]propyl]cyclohexanecarboxamide?
The InChIKey is IVYYTUODOKXWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O2/c29-23(27-16-7-2-8-17-27)18-28-21-13-6-5-12-20(21)26-22(28)14-9-15-25-24(30)19-10-3-1-4-11-19/h5-6,12-13,19H,1-4,7-11,14-18H2,(H,25,30).
What are the key properties of N-[3-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]propyl]cyclohexanecarboxamide?
N-[3-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]propyl]cyclohexanecarboxamide has a molecular weight of 410.56 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]propyl]cyclohexanecarboxamide is sourced from PubChem (CID 16981590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).