3-methyl-N-[5-(1-octadecylbenzimidazol-2-yl)pentyl]benzamide

C38H59N3O — CID 16990259

IUPAC3-methyl-N-[5-(1-octadecylbenzimidazol-2-yl)pentyl]benzamide
SMILESCCCCCCCCCCCCCCCCCCn1c(CCCCCNC(=O)c2cccc(C)c2)nc2ccccc21
InChIInChI=1S/C38H59N3O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-31-41-36-28-21-20-27-35(36)40-37(41)29-19-18-22-30-39-38(42)34-26-24-25-33(2)32-34/h20-21,24-28,32H,3-19,22-23,29-31H2,1-2H3,(H,39,42)
InChIKeyGDEQXAZILCSARR-UHFFFAOYSA-N
MW573.91 g/mol
LogP10.75
Rot. Bonds24

About 3-methyl-N-[5-(1-octadecylbenzimidazol-2-yl)pentyl]benzamide

3-methyl-N-[5-(1-octadecylbenzimidazol-2-yl)pentyl]benzamide (PubChem CID 16990259) has the molecular formula C38H59N3O and a molecular weight of 573.91 g/mol. Its IUPAC name is 3-methyl-N-[5-(1-octadecylbenzimidazol-2-yl)pentyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[5-(1-octadecylbenzimidazol-2-yl)pentyl]benzamide
PubChem CID16990259
Molecular FormulaC38H59N3O
Molecular Weight573.91 g/mol
Exact Mass573.47
IUPAC Name3-methyl-N-[5-(1-octadecylbenzimidazol-2-yl)pentyl]benzamide
SMILESCCCCCCCCCCCCCCCCCCn1c(CCCCCNC(=O)c2cccc(C)c2)nc2ccccc21
InChIInChI=1S/C38H59N3O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-31-41-36-28-21-20-27-35(36)40-37(41)29-19-18-22-30-39-38(42)34-26-24-25-33(2)32-34/h20-21,24-28,32H,3-19,22-23,29-31H2,1-2H3,(H,39,42)
InChIKeyGDEQXAZILCSARR-UHFFFAOYSA-N
XLogP10.75
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds24
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.91
LogP ≤ 510.75
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-heptylbenzimidazol-2-yl)propyl]-3-methylbenzamide
CID 16983150
N-[5-(1-octadecylbenzimidazol-2-yl)pentyl]benzamide
CID 16989287
3-chloro-N-[3-(1-octylbenzimidazol-2-yl)propyl]benzamide
CID 16983472
3-methyl-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]benzamide
CID 16990344
3-bromo-N-[3-(1-octadecylbenzimidazol-2-yl)propyl]benzamide
CID 16983316
N-[3-(1-undecylbenzimidazol-2-yl)propyl]benzamide
CID 16982202
4-methyl-N-[3-(1-nonylbenzimidazol-2-yl)propyl]benzamide
CID 16984261
N-[5-[1-[3-(3,4-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]-3-methylbenzamide
CID 16990335
2,4-dimethyl-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]benzamide
CID 16989608
3-chloro-N-[2-(1-decylbenzimidazol-2-yl)ethyl]benzamide
CID 16977909
N-[5-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-3-methylbenzamide
CID 16990293
N-[5-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide
CID 16989356

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[5-(1-octadecylbenzimidazol-2-yl)pentyl]benzamide?
The IUPAC name of 3-methyl-N-[5-(1-octadecylbenzimidazol-2-yl)pentyl]benzamide (CID 16990259) is 3-methyl-N-[5-(1-octadecylbenzimidazol-2-yl)pentyl]benzamide.
What is the SMILES notation for 3-methyl-N-[5-(1-octadecylbenzimidazol-2-yl)pentyl]benzamide?
The canonical SMILES for 3-methyl-N-[5-(1-octadecylbenzimidazol-2-yl)pentyl]benzamide is CCCCCCCCCCCCCCCCCCn1c(CCCCCNC(=O)c2cccc(C)c2)nc2ccccc21.
What is the InChIKey of 3-methyl-N-[5-(1-octadecylbenzimidazol-2-yl)pentyl]benzamide?
The InChIKey is GDEQXAZILCSARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H59N3O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-31-41-36-28-21-20-27-35(36)40-37(41)29-19-18-22-30-39-38(42)34-26-24-25-33(2)32-34/h20-21,24-28,32H,3-19,22-23,29-31H2,1-2H3,(H,39,42).
What are the key properties of 3-methyl-N-[5-(1-octadecylbenzimidazol-2-yl)pentyl]benzamide?
3-methyl-N-[5-(1-octadecylbenzimidazol-2-yl)pentyl]benzamide has a molecular weight of 573.91 g/mol, XLogP of 10.75, 24 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[5-(1-octadecylbenzimidazol-2-yl)pentyl]benzamide is sourced from PubChem (CID 16990259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).