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

C26H35N3O — CID 16967790

IUPAC2,4-dimethyl-N-[1-(1-octylbenzimidazol-2-yl)ethyl]benzamide
SMILESCCCCCCCCn1c(C(C)NC(=O)c2ccc(C)cc2C)nc2ccccc21
InChIInChI=1S/C26H35N3O/c1-5-6-7-8-9-12-17-29-24-14-11-10-13-23(24)28-25(29)21(4)27-26(30)22-16-15-19(2)18-20(22)3/h10-11,13-16,18,21H,5-9,12,17H2,1-4H3,(H,27,30)
InChIKeyMOIPIIDFFHMYAQ-UHFFFAOYSA-N
MW405.59 g/mol
LogP6.50
Rot. Bonds10

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

2,4-dimethyl-N-[1-(1-octylbenzimidazol-2-yl)ethyl]benzamide (PubChem CID 16967790) has the molecular formula C26H35N3O and a molecular weight of 405.59 g/mol. Its IUPAC name is 2,4-dimethyl-N-[1-(1-octylbenzimidazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[1-(1-octylbenzimidazol-2-yl)ethyl]benzamide
PubChem CID16967790
Molecular FormulaC26H35N3O
Molecular Weight405.59 g/mol
Exact Mass405.28
IUPAC Name2,4-dimethyl-N-[1-(1-octylbenzimidazol-2-yl)ethyl]benzamide
SMILESCCCCCCCCn1c(C(C)NC(=O)c2ccc(C)cc2C)nc2ccccc21
InChIInChI=1S/C26H35N3O/c1-5-6-7-8-9-12-17-29-24-14-11-10-13-23(24)28-25(29)21(4)27-26(30)22-16-15-19(2)18-20(22)3/h10-11,13-16,18,21H,5-9,12,17H2,1-4H3,(H,27,30)
InChIKeyMOIPIIDFFHMYAQ-UHFFFAOYSA-N
XLogP6.50
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.59
LogP ≤ 56.50
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-chloro-N-[1-(1-hexadecylbenzimidazol-2-yl)ethyl]benzamide
CID 16967636
2,4-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]benzamide
CID 16967777
2,4-dimethyl-N-[(1-nonylbenzimidazol-2-yl)methyl]benzamide
CID 17006948
N-[1-(1-dodecylbenzimidazol-2-yl)ethyl]-2-methoxybenzamide
CID 16967951
N-[1-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide
CID 16967909
N-[1-(1-undecylbenzimidazol-2-yl)ethyl]propanamide
CID 16968572
4-bromo-N-[1-(1-octylbenzimidazol-2-yl)ethyl]benzamide
CID 17009314
N-[1-(1-heptylbenzimidazol-2-yl)ethyl]-4-methoxybenzamide
CID 17009628
N-[(1R)-1-(1-pentylbenzimidazol-2-yl)ethyl]acetamide
CID 7023918
N-[1-(1-heptylbenzimidazol-2-yl)ethyl]pyridine-4-carboxamide
CID 16965375
N-[1-(1-nonylbenzimidazol-2-yl)ethyl]pyridine-4-carboxamide
CID 16965377
N-[1-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide
CID 16967268

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[1-(1-octylbenzimidazol-2-yl)ethyl]benzamide?
The IUPAC name of 2,4-dimethyl-N-[1-(1-octylbenzimidazol-2-yl)ethyl]benzamide (CID 16967790) is 2,4-dimethyl-N-[1-(1-octylbenzimidazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 2,4-dimethyl-N-[1-(1-octylbenzimidazol-2-yl)ethyl]benzamide?
The canonical SMILES for 2,4-dimethyl-N-[1-(1-octylbenzimidazol-2-yl)ethyl]benzamide is CCCCCCCCn1c(C(C)NC(=O)c2ccc(C)cc2C)nc2ccccc21.
What is the InChIKey of 2,4-dimethyl-N-[1-(1-octylbenzimidazol-2-yl)ethyl]benzamide?
The InChIKey is MOIPIIDFFHMYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O/c1-5-6-7-8-9-12-17-29-24-14-11-10-13-23(24)28-25(29)21(4)27-26(30)22-16-15-19(2)18-20(22)3/h10-11,13-16,18,21H,5-9,12,17H2,1-4H3,(H,27,30).
What are the key properties of 2,4-dimethyl-N-[1-(1-octylbenzimidazol-2-yl)ethyl]benzamide?
2,4-dimethyl-N-[1-(1-octylbenzimidazol-2-yl)ethyl]benzamide has a molecular weight of 405.59 g/mol, XLogP of 6.50, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[1-(1-octylbenzimidazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 16967790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).