N-[5-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]pentyl]cyclohexanecarboxamide

C25H36N4O3 — CID 16989089

IUPACN-[5-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]pentyl]cyclohexanecarboxamide
SMILESO=C(NCCCCCc1nc2ccccc2n1CC(=O)N1CCOCC1)C1CCCCC1
InChIInChI=1S/C25H36N4O3/c30-24(28-15-17-32-18-16-28)19-29-22-12-7-6-11-21(22)27-23(29)13-5-2-8-14-26-25(31)20-9-3-1-4-10-20/h6-7,11-12,20H,1-5,8-10,13-19H2,(H,26,31)
InChIKeyMQQUGLVLJGUZJN-UHFFFAOYSA-N
MW440.59 g/mol
LogP3.30
Rot. Bonds9

About N-[5-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]pentyl]cyclohexanecarboxamide

N-[5-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]pentyl]cyclohexanecarboxamide (PubChem CID 16989089) has the molecular formula C25H36N4O3 and a molecular weight of 440.59 g/mol. Its IUPAC name is N-[5-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]pentyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[5-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]pentyl]cyclohexanecarboxamide
PubChem CID16989089
Molecular FormulaC25H36N4O3
Molecular Weight440.59 g/mol
Exact Mass440.28
IUPAC NameN-[5-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]pentyl]cyclohexanecarboxamide
SMILESO=C(NCCCCCc1nc2ccccc2n1CC(=O)N1CCOCC1)C1CCCCC1
InChIInChI=1S/C25H36N4O3/c30-24(28-15-17-32-18-16-28)19-29-22-12-7-6-11-21(22)27-23(29)13-5-2-8-14-26-25(31)20-9-3-1-4-10-20/h6-7,11-12,20H,1-5,8-10,13-19H2,(H,26,31)
InChIKeyMQQUGLVLJGUZJN-UHFFFAOYSA-N
XLogP3.30
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.59
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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]cyclohexanecarboxamide
CID 16981590
N-[3-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]propyl]cyclopropanecarboxamide
CID 16981751
N-[5-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]pentyl]cyclohexanecarboxamide
CID 16989093
methyl 2-[2-[5-(cyclohexanecarbonylamino)pentyl]benzimidazol-1-yl]acetate
CID 16989094
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-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]propyl]oxolane-2-carboxamide
CID 16981912
(E)-N-[5-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]pentyl]-3-phenylprop-2-enamide
CID 16992815
N-[5-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]pentyl]-2-phenoxyacetamide
CID 16992977
N-[3-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]propyl]benzamide
CID 16982324
N-[5-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]pentyl]cyclopropanecarboxamide
CID 16989110
N-[3-(1-prop-2-ynylbenzimidazol-2-yl)propyl]cyclohexanecarboxamide
CID 16981538

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]pentyl]cyclohexanecarboxamide?
The IUPAC name of N-[5-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]pentyl]cyclohexanecarboxamide (CID 16989089) is N-[5-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]pentyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[5-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]pentyl]cyclohexanecarboxamide?
The canonical SMILES for N-[5-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]pentyl]cyclohexanecarboxamide is O=C(NCCCCCc1nc2ccccc2n1CC(=O)N1CCOCC1)C1CCCCC1.
What is the InChIKey of N-[5-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]pentyl]cyclohexanecarboxamide?
The InChIKey is MQQUGLVLJGUZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N4O3/c30-24(28-15-17-32-18-16-28)19-29-22-12-7-6-11-21(22)27-23(29)13-5-2-8-14-26-25(31)20-9-3-1-4-10-20/h6-7,11-12,20H,1-5,8-10,13-19H2,(H,26,31).
What are the key properties of N-[5-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]pentyl]cyclohexanecarboxamide?
N-[5-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]pentyl]cyclohexanecarboxamide has a molecular weight of 440.59 g/mol, XLogP of 3.30, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]pentyl]cyclohexanecarboxamide is sourced from PubChem (CID 16989089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).