2,4-dimethyl-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]benzamide

C32H47N3O — CID 16989608

IUPAC2,4-dimethyl-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]benzamide
SMILESCCCCCCCCCCCn1c(CCCCCNC(=O)c2ccc(C)cc2C)nc2ccccc21
InChIInChI=1S/C32H47N3O/c1-4-5-6-7-8-9-10-11-17-24-35-30-19-15-14-18-29(30)34-31(35)20-13-12-16-23-33-32(36)28-22-21-26(2)25-27(28)3/h14-15,18-19,21-22,25H,4-13,16-17,20,23-24H2,1-3H3,(H,33,36)
InChIKeyAJJMRDBLULAXKL-UHFFFAOYSA-N
MW489.75 g/mol
LogP8.33
Rot. Bonds17

About 2,4-dimethyl-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]benzamide

2,4-dimethyl-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]benzamide (PubChem CID 16989608) has the molecular formula C32H47N3O and a molecular weight of 489.75 g/mol. Its IUPAC name is 2,4-dimethyl-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]benzamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]benzamide
PubChem CID16989608
Molecular FormulaC32H47N3O
Molecular Weight489.75 g/mol
Exact Mass489.37
IUPAC Name2,4-dimethyl-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]benzamide
SMILESCCCCCCCCCCCn1c(CCCCCNC(=O)c2ccc(C)cc2C)nc2ccccc21
InChIInChI=1S/C32H47N3O/c1-4-5-6-7-8-9-10-11-17-24-35-30-19-15-14-18-29(30)34-31(35)20-13-12-16-23-33-32(36)28-22-21-26(2)25-27(28)3/h14-15,18-19,21-22,25H,4-13,16-17,20,23-24H2,1-3H3,(H,33,36)
InChIKeyAJJMRDBLULAXKL-UHFFFAOYSA-N
XLogP8.33
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.75
LogP ≤ 58.33
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

2,4-dimethyl-N-[3-(1-octylbenzimidazol-2-yl)propyl]benzamide
CID 16982516
N-[3-(1-hexylbenzimidazol-2-yl)propyl]-2,4-dimethylbenzamide
CID 16982514
N-[5-[1-[4-(2,5-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]-2,4-dimethylbenzamide
CID 16989701
2,4-dimethyl-N-[(1-nonylbenzimidazol-2-yl)methyl]benzamide
CID 17006948
2,4-dimethyl-N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide
CID 16989614
2,4-dimethyl-N-[5-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide
CID 16989680
2,4-dimethyl-N-[5-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide
CID 16989618
2,4-dimethyl-N-[3-[1-(3-phenylpropyl)benzimidazol-2-yl]propyl]benzamide
CID 16982550
2,4-dimethyl-N-[3-[1-(2-phenylethyl)benzimidazol-2-yl]propyl]benzamide
CID 16982548
N-[5-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]pentyl]-2,4-dimethylbenzamide
CID 16989724
2,4-dimethyl-N-[5-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]pentyl]benzamide
CID 16989642
3-methyl-N-[5-(1-octadecylbenzimidazol-2-yl)pentyl]benzamide
CID 16990259

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]benzamide?
The IUPAC name of 2,4-dimethyl-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]benzamide (CID 16989608) is 2,4-dimethyl-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]benzamide.
What is the SMILES notation for 2,4-dimethyl-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]benzamide?
The canonical SMILES for 2,4-dimethyl-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]benzamide is CCCCCCCCCCCn1c(CCCCCNC(=O)c2ccc(C)cc2C)nc2ccccc21.
What is the InChIKey of 2,4-dimethyl-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]benzamide?
The InChIKey is AJJMRDBLULAXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H47N3O/c1-4-5-6-7-8-9-10-11-17-24-35-30-19-15-14-18-29(30)34-31(35)20-13-12-16-23-33-32(36)28-22-21-26(2)25-27(28)3/h14-15,18-19,21-22,25H,4-13,16-17,20,23-24H2,1-3H3,(H,33,36).
What are the key properties of 2,4-dimethyl-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]benzamide?
2,4-dimethyl-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]benzamide has a molecular weight of 489.75 g/mol, XLogP of 8.33, 17 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]benzamide is sourced from PubChem (CID 16989608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).