2,4-dimethyl-N-[(1-nonylbenzimidazol-2-yl)methyl]benzamide

C26H35N3O — CID 17006948

IUPAC2,4-dimethyl-N-[(1-nonylbenzimidazol-2-yl)methyl]benzamide
SMILESCCCCCCCCCn1c(CNC(=O)c2ccc(C)cc2C)nc2ccccc21
InChIInChI=1S/C26H35N3O/c1-4-5-6-7-8-9-12-17-29-24-14-11-10-13-23(24)28-25(29)19-27-26(30)22-16-15-20(2)18-21(22)3/h10-11,13-16,18H,4-9,12,17,19H2,1-3H3,(H,27,30)
InChIKeyPLWNHXZPSCUNRD-UHFFFAOYSA-N
MW405.59 g/mol
LogP6.33
Rot. Bonds11

About 2,4-dimethyl-N-[(1-nonylbenzimidazol-2-yl)methyl]benzamide

2,4-dimethyl-N-[(1-nonylbenzimidazol-2-yl)methyl]benzamide (PubChem CID 17006948) has the molecular formula C26H35N3O and a molecular weight of 405.59 g/mol. Its IUPAC name is 2,4-dimethyl-N-[(1-nonylbenzimidazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[(1-nonylbenzimidazol-2-yl)methyl]benzamide
PubChem CID17006948
Molecular FormulaC26H35N3O
Molecular Weight405.59 g/mol
Exact Mass405.28
IUPAC Name2,4-dimethyl-N-[(1-nonylbenzimidazol-2-yl)methyl]benzamide
SMILESCCCCCCCCCn1c(CNC(=O)c2ccc(C)cc2C)nc2ccccc21
InChIInChI=1S/C26H35N3O/c1-4-5-6-7-8-9-12-17-29-24-14-11-10-13-23(24)28-25(29)19-27-26(30)22-16-15-20(2)18-21(22)3/h10-11,13-16,18H,4-9,12,17,19H2,1-3H3,(H,27,30)
InChIKeyPLWNHXZPSCUNRD-UHFFFAOYSA-N
XLogP6.33
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.59
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2,4-dimethyl-N-[(1-nonylbenzimidazol-2-yl)methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
2-methyl-N-[(1-pentylbenzimidazol-2-yl)methyl]benzamide
CID 17006783
2,4-dimethyl-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]benzamide
CID 16989608
4-methyl-N-[(1-octylbenzimidazol-2-yl)methyl]benzamide
CID 17007109
4-methyl-N-[(1-undecylbenzimidazol-2-yl)methyl]benzamide
CID 17007112
2,4-dimethyl-N-[[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
CID 17007092
N-[(1-butylbenzimidazol-2-yl)methyl]-2-methylbenzamide
CID 17006780
N-[[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]methyl]-2,4-dimethylbenzamide
CID 17007057
N-[[1-[3-(3,4-dimethylphenoxy)propyl]benzimidazol-2-yl]methyl]-2,4-dimethylbenzamide
CID 17007029
N-[[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]methyl]-2,4-dimethylbenzamide
CID 17007056
N-[[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]methyl]-2,4-dimethylbenzamide
CID 17007021

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[(1-nonylbenzimidazol-2-yl)methyl]benzamide?
The IUPAC name of 2,4-dimethyl-N-[(1-nonylbenzimidazol-2-yl)methyl]benzamide (CID 17006948) is 2,4-dimethyl-N-[(1-nonylbenzimidazol-2-yl)methyl]benzamide.
What is the SMILES notation for 2,4-dimethyl-N-[(1-nonylbenzimidazol-2-yl)methyl]benzamide?
The canonical SMILES for 2,4-dimethyl-N-[(1-nonylbenzimidazol-2-yl)methyl]benzamide is CCCCCCCCCn1c(CNC(=O)c2ccc(C)cc2C)nc2ccccc21.
What is the InChIKey of 2,4-dimethyl-N-[(1-nonylbenzimidazol-2-yl)methyl]benzamide?
The InChIKey is PLWNHXZPSCUNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O/c1-4-5-6-7-8-9-12-17-29-24-14-11-10-13-23(24)28-25(29)19-27-26(30)22-16-15-20(2)18-21(22)3/h10-11,13-16,18H,4-9,12,17,19H2,1-3H3,(H,27,30).
What are the key properties of 2,4-dimethyl-N-[(1-nonylbenzimidazol-2-yl)methyl]benzamide?
2,4-dimethyl-N-[(1-nonylbenzimidazol-2-yl)methyl]benzamide has a molecular weight of 405.59 g/mol, XLogP of 6.33, 11 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-nonylbenzimidazol-2-yl)methyl]benzamide is sourced from PubChem (CID 17006948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).