N-[2-(1-octylbenzimidazol-2-yl)ethyl]cyclohexanecarboxamide

C24H37N3O — CID 18888831

IUPACN-[2-(1-octylbenzimidazol-2-yl)ethyl]cyclohexanecarboxamide
SMILESCCCCCCCCn1c(CCNC(=O)C2CCCCC2)nc2ccccc21
InChIInChI=1S/C24H37N3O/c1-2-3-4-5-6-12-19-27-22-16-11-10-15-21(22)26-23(27)17-18-25-24(28)20-13-8-7-9-14-20/h10-11,15-16,20H,2-9,12-14,17-19H2,1H3,(H,25,28)
InChIKeyNTBXTDPJYYCOKK-UHFFFAOYSA-N
MW383.58 g/mol
LogP5.64
Rot. Bonds11

About N-[2-(1-octylbenzimidazol-2-yl)ethyl]cyclohexanecarboxamide

N-[2-(1-octylbenzimidazol-2-yl)ethyl]cyclohexanecarboxamide (PubChem CID 18888831) has the molecular formula C24H37N3O and a molecular weight of 383.58 g/mol. Its IUPAC name is N-[2-(1-octylbenzimidazol-2-yl)ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-(1-octylbenzimidazol-2-yl)ethyl]cyclohexanecarboxamide
PubChem CID18888831
Molecular FormulaC24H37N3O
Molecular Weight383.58 g/mol
Exact Mass383.29
IUPAC NameN-[2-(1-octylbenzimidazol-2-yl)ethyl]cyclohexanecarboxamide
SMILESCCCCCCCCn1c(CCNC(=O)C2CCCCC2)nc2ccccc21
InChIInChI=1S/C24H37N3O/c1-2-3-4-5-6-12-19-27-22-16-11-10-15-21(22)26-23(27)17-18-25-24(28)20-13-8-7-9-14-20/h10-11,15-16,20H,2-9,12-14,17-19H2,1H3,(H,25,28)
InChIKeyNTBXTDPJYYCOKK-UHFFFAOYSA-N
XLogP5.64
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.58
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(1-hexylbenzimidazol-2-yl)propyl]cyclohexanecarboxamide
CID 18888908
N-[2-(1-octylbenzimidazol-2-yl)ethyl]cyclopropanecarboxamide
CID 16975148
N-[2-(1-butylbenzimidazol-2-yl)ethyl]cyclopropanecarboxamide
CID 16975142
N-[(1-octylbenzimidazol-2-yl)methyl]cyclohexanecarboxamide
CID 16968415
N-[3-(1-heptylbenzimidazol-2-yl)propyl]cyclopropanecarboxamide
CID 16981619
N-[3-(1-decylbenzimidazol-2-yl)propyl]cyclopropanecarboxamide
CID 16981622
N-[2-(1-hexadecylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide
CID 16975315
N-[2-(1-dodecylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide
CID 16975314
N-[5-(1-ethylbenzimidazol-2-yl)pentyl]cyclohexanecarboxamide
CID 16988943
N-[(1-dodecylbenzimidazol-2-yl)methyl]cyclopropanecarboxamide
CID 16969793
N-[2-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
CID 18888795
N-[2-[1-[4-(3,5-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
CID 18888801

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-octylbenzimidazol-2-yl)ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-(1-octylbenzimidazol-2-yl)ethyl]cyclohexanecarboxamide (CID 18888831) is N-[2-(1-octylbenzimidazol-2-yl)ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-(1-octylbenzimidazol-2-yl)ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-(1-octylbenzimidazol-2-yl)ethyl]cyclohexanecarboxamide is CCCCCCCCn1c(CCNC(=O)C2CCCCC2)nc2ccccc21.
What is the InChIKey of N-[2-(1-octylbenzimidazol-2-yl)ethyl]cyclohexanecarboxamide?
The InChIKey is NTBXTDPJYYCOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O/c1-2-3-4-5-6-12-19-27-22-16-11-10-15-21(22)26-23(27)17-18-25-24(28)20-13-8-7-9-14-20/h10-11,15-16,20H,2-9,12-14,17-19H2,1H3,(H,25,28).
What are the key properties of N-[2-(1-octylbenzimidazol-2-yl)ethyl]cyclohexanecarboxamide?
N-[2-(1-octylbenzimidazol-2-yl)ethyl]cyclohexanecarboxamide has a molecular weight of 383.58 g/mol, XLogP of 5.64, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-octylbenzimidazol-2-yl)ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 18888831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).