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

C37H57N3O — CID 16989287

IUPACN-[5-(1-octadecylbenzimidazol-2-yl)pentyl]benzamide
SMILESCCCCCCCCCCCCCCCCCCn1c(CCCCCNC(=O)c2ccccc2)nc2ccccc21
InChIInChI=1S/C37H57N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25-32-40-35-29-23-22-28-34(35)39-36(40)30-21-18-24-31-38-37(41)33-26-19-17-20-27-33/h17,19-20,22-23,26-29H,2-16,18,21,24-25,30-32H2,1H3,(H,38,41)
InChIKeyGYELNDKJCXPJJW-UHFFFAOYSA-N
MW559.88 g/mol
LogP10.44
Rot. Bonds24

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

N-[5-(1-octadecylbenzimidazol-2-yl)pentyl]benzamide (PubChem CID 16989287) has the molecular formula C37H57N3O and a molecular weight of 559.88 g/mol. Its IUPAC name is N-[5-(1-octadecylbenzimidazol-2-yl)pentyl]benzamide.

Molecular Properties

Compound NameN-[5-(1-octadecylbenzimidazol-2-yl)pentyl]benzamide
PubChem CID16989287
Molecular FormulaC37H57N3O
Molecular Weight559.88 g/mol
Exact Mass559.45
IUPAC NameN-[5-(1-octadecylbenzimidazol-2-yl)pentyl]benzamide
SMILESCCCCCCCCCCCCCCCCCCn1c(CCCCCNC(=O)c2ccccc2)nc2ccccc21
InChIInChI=1S/C37H57N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25-32-40-35-29-23-22-28-34(35)39-36(40)30-21-18-24-31-38-37(41)33-26-19-17-20-27-33/h17,19-20,22-23,26-29H,2-16,18,21,24-25,30-32H2,1H3,(H,38,41)
InChIKeyGYELNDKJCXPJJW-UHFFFAOYSA-N
XLogP10.44
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds24
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.88
LogP ≤ 510.44
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-undecylbenzimidazol-2-yl)propyl]benzamide
CID 16982202
N-[2-(1-undecylbenzimidazol-2-yl)ethyl]benzamide
CID 16975728
3-methyl-N-[5-(1-octadecylbenzimidazol-2-yl)pentyl]benzamide
CID 16990259
N-[5-(1-ethylbenzimidazol-2-yl)pentyl]benzamide
CID 16989267
4-methyl-N-[3-(1-nonylbenzimidazol-2-yl)propyl]benzamide
CID 16984261
4-chloro-N-[3-(1-octadecylbenzimidazol-2-yl)propyl]benzamide
CID 16984573
2-phenyl-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]acetamide
CID 16993334
3-chloro-N-[3-(1-octylbenzimidazol-2-yl)propyl]benzamide
CID 16983472
3-bromo-N-[3-(1-octadecylbenzimidazol-2-yl)propyl]benzamide
CID 16983316
N-[3-(1-heptylbenzimidazol-2-yl)propyl]-3-methylbenzamide
CID 16983150
N-[5-(1-pentylbenzimidazol-2-yl)pentyl]propanamide
CID 16987982
4-fluoro-N-[5-(1-propylbenzimidazol-2-yl)pentyl]benzamide
CID 16991699

Frequently Asked Questions

What is the IUPAC name of N-[5-(1-octadecylbenzimidazol-2-yl)pentyl]benzamide?
The IUPAC name of N-[5-(1-octadecylbenzimidazol-2-yl)pentyl]benzamide (CID 16989287) is N-[5-(1-octadecylbenzimidazol-2-yl)pentyl]benzamide.
What is the SMILES notation for N-[5-(1-octadecylbenzimidazol-2-yl)pentyl]benzamide?
The canonical SMILES for N-[5-(1-octadecylbenzimidazol-2-yl)pentyl]benzamide is CCCCCCCCCCCCCCCCCCn1c(CCCCCNC(=O)c2ccccc2)nc2ccccc21.
What is the InChIKey of N-[5-(1-octadecylbenzimidazol-2-yl)pentyl]benzamide?
The InChIKey is GYELNDKJCXPJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H57N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25-32-40-35-29-23-22-28-34(35)39-36(40)30-21-18-24-31-38-37(41)33-26-19-17-20-27-33/h17,19-20,22-23,26-29H,2-16,18,21,24-25,30-32H2,1H3,(H,38,41).
What are the key properties of N-[5-(1-octadecylbenzimidazol-2-yl)pentyl]benzamide?
N-[5-(1-octadecylbenzimidazol-2-yl)pentyl]benzamide has a molecular weight of 559.88 g/mol, XLogP of 10.44, 24 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-octadecylbenzimidazol-2-yl)pentyl]benzamide is sourced from PubChem (CID 16989287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).