N-[5-(1-hexadecylbenzimidazol-2-yl)pentyl]-2-methylpropanamide

C32H55N3O — CID 16988638

IUPACN-[5-(1-hexadecylbenzimidazol-2-yl)pentyl]-2-methylpropanamide
SMILESCCCCCCCCCCCCCCCCn1c(CCCCCNC(=O)C(C)C)nc2ccccc21
InChIInChI=1S/C32H55N3O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-22-27-35-30-24-20-19-23-29(30)34-31(35)25-18-17-21-26-33-32(36)28(2)3/h19-20,23-24,28H,4-18,21-22,25-27H2,1-3H3,(H,33,36)
InChIKeyFXXVLIZIGKHORZ-UHFFFAOYSA-N
MW497.81 g/mol
LogP9.00
Rot. Bonds22

About N-[5-(1-hexadecylbenzimidazol-2-yl)pentyl]-2-methylpropanamide

N-[5-(1-hexadecylbenzimidazol-2-yl)pentyl]-2-methylpropanamide (PubChem CID 16988638) has the molecular formula C32H55N3O and a molecular weight of 497.81 g/mol. Its IUPAC name is N-[5-(1-hexadecylbenzimidazol-2-yl)pentyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[5-(1-hexadecylbenzimidazol-2-yl)pentyl]-2-methylpropanamide
PubChem CID16988638
Molecular FormulaC32H55N3O
Molecular Weight497.81 g/mol
Exact Mass497.43
IUPAC NameN-[5-(1-hexadecylbenzimidazol-2-yl)pentyl]-2-methylpropanamide
SMILESCCCCCCCCCCCCCCCCn1c(CCCCCNC(=O)C(C)C)nc2ccccc21
InChIInChI=1S/C32H55N3O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-22-27-35-30-24-20-19-23-29(30)34-31(35)25-18-17-21-26-33-32(36)28(2)3/h19-20,23-24,28H,4-18,21-22,25-27H2,1-3H3,(H,33,36)
InChIKeyFXXVLIZIGKHORZ-UHFFFAOYSA-N
XLogP9.00
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds22
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.81
LogP ≤ 59.00
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

2-methyl-N-[3-(1-undecylbenzimidazol-2-yl)propyl]propanamide
CID 16980820
N-[3-(1-heptylbenzimidazol-2-yl)propyl]-2-methylpropanamide
CID 18811164
N-[3-(1-hexylbenzimidazol-2-yl)propyl]-2-methylpropanamide
CID 18811165
N-[5-(1-pentylbenzimidazol-2-yl)pentyl]propanamide
CID 16987982
2-phenyl-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]acetamide
CID 16993334
2-(2-methylphenyl)-N-[5-(1-pentylbenzimidazol-2-yl)pentyl]acetamide
CID 16993490
N-[5-(1-octadecylbenzimidazol-2-yl)pentyl]benzamide
CID 16989287
N-[5-(1-decylbenzimidazol-2-yl)pentyl]-2-methylprop-2-enamide
CID 16992361
2-methyl-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]prop-2-enamide
CID 16992362
2-(2-chlorophenyl)-N-[5-(1-octylbenzimidazol-2-yl)pentyl]acetamide
CID 16993655
N-[3-(1-heptylbenzimidazol-2-yl)propyl]acetamide
CID 16980528
N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-methylpropanamide
CID 4754827

Frequently Asked Questions

What is the IUPAC name of N-[5-(1-hexadecylbenzimidazol-2-yl)pentyl]-2-methylpropanamide?
The IUPAC name of N-[5-(1-hexadecylbenzimidazol-2-yl)pentyl]-2-methylpropanamide (CID 16988638) is N-[5-(1-hexadecylbenzimidazol-2-yl)pentyl]-2-methylpropanamide.
What is the SMILES notation for N-[5-(1-hexadecylbenzimidazol-2-yl)pentyl]-2-methylpropanamide?
The canonical SMILES for N-[5-(1-hexadecylbenzimidazol-2-yl)pentyl]-2-methylpropanamide is CCCCCCCCCCCCCCCCn1c(CCCCCNC(=O)C(C)C)nc2ccccc21.
What is the InChIKey of N-[5-(1-hexadecylbenzimidazol-2-yl)pentyl]-2-methylpropanamide?
The InChIKey is FXXVLIZIGKHORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H55N3O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-22-27-35-30-24-20-19-23-29(30)34-31(35)25-18-17-21-26-33-32(36)28(2)3/h19-20,23-24,28H,4-18,21-22,25-27H2,1-3H3,(H,33,36).
What are the key properties of N-[5-(1-hexadecylbenzimidazol-2-yl)pentyl]-2-methylpropanamide?
N-[5-(1-hexadecylbenzimidazol-2-yl)pentyl]-2-methylpropanamide has a molecular weight of 497.81 g/mol, XLogP of 9.00, 22 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-hexadecylbenzimidazol-2-yl)pentyl]-2-methylpropanamide is sourced from PubChem (CID 16988638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).