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

C23H35N3O — CID 16968415

IUPACN-[(1-octylbenzimidazol-2-yl)methyl]cyclohexanecarboxamide
SMILESCCCCCCCCn1c(CNC(=O)C2CCCCC2)nc2ccccc21
InChIInChI=1S/C23H35N3O/c1-2-3-4-5-6-12-17-26-21-16-11-10-15-20(21)25-22(26)18-24-23(27)19-13-8-7-9-14-19/h10-11,15-16,19H,2-9,12-14,17-18H2,1H3,(H,24,27)
InChIKeyYQGLFIDSZPFNJT-UHFFFAOYSA-N
MW369.55 g/mol
LogP5.59
Rot. Bonds10

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

N-[(1-octylbenzimidazol-2-yl)methyl]cyclohexanecarboxamide (PubChem CID 16968415) has the molecular formula C23H35N3O and a molecular weight of 369.55 g/mol. Its IUPAC name is N-[(1-octylbenzimidazol-2-yl)methyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(1-octylbenzimidazol-2-yl)methyl]cyclohexanecarboxamide
PubChem CID16968415
Molecular FormulaC23H35N3O
Molecular Weight369.55 g/mol
Exact Mass369.28
IUPAC NameN-[(1-octylbenzimidazol-2-yl)methyl]cyclohexanecarboxamide
SMILESCCCCCCCCn1c(CNC(=O)C2CCCCC2)nc2ccccc21
InChIInChI=1S/C23H35N3O/c1-2-3-4-5-6-12-17-26-21-16-11-10-15-20(21)25-22(26)18-24-23(27)19-13-8-7-9-14-19/h10-11,15-16,19H,2-9,12-14,17-18H2,1H3,(H,24,27)
InChIKeyYQGLFIDSZPFNJT-UHFFFAOYSA-N
XLogP5.59
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.55
LogP ≤ 55.59
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-[(1-dodecylbenzimidazol-2-yl)methyl]cyclopropanecarboxamide
CID 16969793
N-[2-(1-octylbenzimidazol-2-yl)ethyl]cyclohexanecarboxamide
CID 18888831
N-[3-(1-hexylbenzimidazol-2-yl)propyl]cyclohexanecarboxamide
CID 18888908
N-[[1-[2-(butylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide
CID 17029148
N-[(1-dodecylbenzimidazol-2-yl)methyl]oxolane-2-carboxamide
CID 16973996
N-[2-(1-octylbenzimidazol-2-yl)ethyl]cyclopropanecarboxamide
CID 16975148
N-[3-(1-decylbenzimidazol-2-yl)propyl]cyclopropanecarboxamide
CID 16981622
N-[3-(1-heptylbenzimidazol-2-yl)propyl]cyclopropanecarboxamide
CID 16981619
N-[(1-ethylbenzimidazol-2-yl)methyl]cyclopropanecarboxamide
CID 16969775
N-[(1-nonylbenzimidazol-2-yl)methyl]acetamide
CID 17005899
N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]cyclohexanecarboxamide
CID 16968451
N-[(1-hexadecylbenzimidazol-2-yl)methyl]butanamide
CID 16968866

Frequently Asked Questions

What is the IUPAC name of N-[(1-octylbenzimidazol-2-yl)methyl]cyclohexanecarboxamide?
The IUPAC name of N-[(1-octylbenzimidazol-2-yl)methyl]cyclohexanecarboxamide (CID 16968415) is N-[(1-octylbenzimidazol-2-yl)methyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(1-octylbenzimidazol-2-yl)methyl]cyclohexanecarboxamide?
The canonical SMILES for N-[(1-octylbenzimidazol-2-yl)methyl]cyclohexanecarboxamide is CCCCCCCCn1c(CNC(=O)C2CCCCC2)nc2ccccc21.
What is the InChIKey of N-[(1-octylbenzimidazol-2-yl)methyl]cyclohexanecarboxamide?
The InChIKey is YQGLFIDSZPFNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O/c1-2-3-4-5-6-12-17-26-21-16-11-10-15-20(21)25-22(26)18-24-23(27)19-13-8-7-9-14-19/h10-11,15-16,19H,2-9,12-14,17-18H2,1H3,(H,24,27).
What are the key properties of N-[(1-octylbenzimidazol-2-yl)methyl]cyclohexanecarboxamide?
N-[(1-octylbenzimidazol-2-yl)methyl]cyclohexanecarboxamide has a molecular weight of 369.55 g/mol, XLogP of 5.59, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-octylbenzimidazol-2-yl)methyl]cyclohexanecarboxamide is sourced from PubChem (CID 16968415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).