2,4-dimethyl-N-[3-(1-octylbenzimidazol-2-yl)propyl]benzamide

C27H37N3O — CID 16982516

IUPAC2,4-dimethyl-N-[3-(1-octylbenzimidazol-2-yl)propyl]benzamide
SMILESCCCCCCCCn1c(CCCNC(=O)c2ccc(C)cc2C)nc2ccccc21
InChIInChI=1S/C27H37N3O/c1-4-5-6-7-8-11-19-30-25-14-10-9-13-24(25)29-26(30)15-12-18-28-27(31)23-17-16-21(2)20-22(23)3/h9-10,13-14,16-17,20H,4-8,11-12,15,18-19H2,1-3H3,(H,28,31)
InChIKeyYAEKMMKALZTBOQ-UHFFFAOYSA-N
MW419.61 g/mol
LogP6.38
Rot. Bonds12

About 2,4-dimethyl-N-[3-(1-octylbenzimidazol-2-yl)propyl]benzamide

2,4-dimethyl-N-[3-(1-octylbenzimidazol-2-yl)propyl]benzamide (PubChem CID 16982516) has the molecular formula C27H37N3O and a molecular weight of 419.61 g/mol. Its IUPAC name is 2,4-dimethyl-N-[3-(1-octylbenzimidazol-2-yl)propyl]benzamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[3-(1-octylbenzimidazol-2-yl)propyl]benzamide
PubChem CID16982516
Molecular FormulaC27H37N3O
Molecular Weight419.61 g/mol
Exact Mass419.29
IUPAC Name2,4-dimethyl-N-[3-(1-octylbenzimidazol-2-yl)propyl]benzamide
SMILESCCCCCCCCn1c(CCCNC(=O)c2ccc(C)cc2C)nc2ccccc21
InChIInChI=1S/C27H37N3O/c1-4-5-6-7-8-11-19-30-25-14-10-9-13-24(25)29-26(30)15-12-18-28-27(31)23-17-16-21(2)20-22(23)3/h9-10,13-14,16-17,20H,4-8,11-12,15,18-19H2,1-3H3,(H,28,31)
InChIKeyYAEKMMKALZTBOQ-UHFFFAOYSA-N
XLogP6.38
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.61
LogP ≤ 56.38
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-hexylbenzimidazol-2-yl)propyl]-2,4-dimethylbenzamide
CID 16982514
2,4-dimethyl-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]benzamide
CID 16989608
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
2,4-dimethyl-N-[(1-nonylbenzimidazol-2-yl)methyl]benzamide
CID 17006948
4-methyl-N-[3-(1-nonylbenzimidazol-2-yl)propyl]benzamide
CID 16984261
2,4-dimethyl-N-[3-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]propyl]benzamide
CID 16982579
2,4-dimethyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]benzamide
CID 16982503
N-[5-[1-[4-(2,5-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]-2,4-dimethylbenzamide
CID 16989701
N-[3-(1-heptylbenzimidazol-2-yl)propyl]-3-methylbenzamide
CID 16983150
2,4-dimethyl-N-[2-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]benzamide
CID 16976389
N-[2-(1-hexadecylbenzimidazol-2-yl)ethyl]-4-methylbenzamide
CID 16976522

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[3-(1-octylbenzimidazol-2-yl)propyl]benzamide?
The IUPAC name of 2,4-dimethyl-N-[3-(1-octylbenzimidazol-2-yl)propyl]benzamide (CID 16982516) is 2,4-dimethyl-N-[3-(1-octylbenzimidazol-2-yl)propyl]benzamide.
What is the SMILES notation for 2,4-dimethyl-N-[3-(1-octylbenzimidazol-2-yl)propyl]benzamide?
The canonical SMILES for 2,4-dimethyl-N-[3-(1-octylbenzimidazol-2-yl)propyl]benzamide is CCCCCCCCn1c(CCCNC(=O)c2ccc(C)cc2C)nc2ccccc21.
What is the InChIKey of 2,4-dimethyl-N-[3-(1-octylbenzimidazol-2-yl)propyl]benzamide?
The InChIKey is YAEKMMKALZTBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N3O/c1-4-5-6-7-8-11-19-30-25-14-10-9-13-24(25)29-26(30)15-12-18-28-27(31)23-17-16-21(2)20-22(23)3/h9-10,13-14,16-17,20H,4-8,11-12,15,18-19H2,1-3H3,(H,28,31).
What are the key properties of 2,4-dimethyl-N-[3-(1-octylbenzimidazol-2-yl)propyl]benzamide?
2,4-dimethyl-N-[3-(1-octylbenzimidazol-2-yl)propyl]benzamide has a molecular weight of 419.61 g/mol, XLogP of 6.38, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[3-(1-octylbenzimidazol-2-yl)propyl]benzamide is sourced from PubChem (CID 16982516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).