N-[3-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]propyl]pyridine-2-carboxamide

C25H26N4O — CID 16966196

IUPACN-[3-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]propyl]pyridine-2-carboxamide
SMILESCc1ccc(C)c(Cn2c(CCCNC(=O)c3ccccn3)nc3ccccc32)c1
InChIInChI=1S/C25H26N4O/c1-18-12-13-19(2)20(16-18)17-29-23-10-4-3-8-21(23)28-24(29)11-7-15-27-25(30)22-9-5-6-14-26-22/h3-6,8-10,12-14,16H,7,11,15,17H2,1-2H3,(H,27,30)
InChIKeyHRAHRXWOTUKCFG-UHFFFAOYSA-N
MW398.51 g/mol
LogP4.46
Rot. Bonds7

About N-[3-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]propyl]pyridine-2-carboxamide

N-[3-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]propyl]pyridine-2-carboxamide (PubChem CID 16966196) has the molecular formula C25H26N4O and a molecular weight of 398.51 g/mol. Its IUPAC name is N-[3-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]propyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]propyl]pyridine-2-carboxamide
PubChem CID16966196
Molecular FormulaC25H26N4O
Molecular Weight398.51 g/mol
Exact Mass398.21
IUPAC NameN-[3-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]propyl]pyridine-2-carboxamide
SMILESCc1ccc(C)c(Cn2c(CCCNC(=O)c3ccccn3)nc3ccccc32)c1
InChIInChI=1S/C25H26N4O/c1-18-12-13-19(2)20(16-18)17-29-23-10-4-3-8-21(23)28-24(29)11-7-15-27-25(30)22-9-5-6-14-26-22/h3-6,8-10,12-14,16H,7,11,15,17H2,1-2H3,(H,27,30)
InChIKeyHRAHRXWOTUKCFG-UHFFFAOYSA-N
XLogP4.46
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]propyl]pyridine-2-carboxamide
CID 16966226
N-[3-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]propyl]-2-(2-methylphenyl)acetamide
CID 16985043
4-bromo-N-[3-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide
CID 16984734
N-[3-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]propyl]-3,4-dimethoxybenzamide
CID 4656833
N-[3-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]pyridine-2-carboxamide
CID 16966240
N-[3-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]propyl]pyridine-2-carboxamide
CID 16966276
N-[5-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]pentyl]-2,2-dimethylpropanamide
CID 16988805
N-[3-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]pyridine-2-carboxamide
CID 16966223
N-[3-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]propyl]pyridine-2-carboxamide
CID 16966177
3-methyl-N-[3-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide
CID 16983159
2,4-dimethyl-N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide
CID 16989614
N-[5-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]pentyl]butanamide
CID 16988157

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]propyl]pyridine-2-carboxamide?
The IUPAC name of N-[3-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]propyl]pyridine-2-carboxamide (CID 16966196) is N-[3-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]propyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]propyl]pyridine-2-carboxamide?
The canonical SMILES for N-[3-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]propyl]pyridine-2-carboxamide is Cc1ccc(C)c(Cn2c(CCCNC(=O)c3ccccn3)nc3ccccc32)c1.
What is the InChIKey of N-[3-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]propyl]pyridine-2-carboxamide?
The InChIKey is HRAHRXWOTUKCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O/c1-18-12-13-19(2)20(16-18)17-29-23-10-4-3-8-21(23)28-24(29)11-7-15-27-25(30)22-9-5-6-14-26-22/h3-6,8-10,12-14,16H,7,11,15,17H2,1-2H3,(H,27,30).
What are the key properties of N-[3-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]propyl]pyridine-2-carboxamide?
N-[3-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]propyl]pyridine-2-carboxamide has a molecular weight of 398.51 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]propyl]pyridine-2-carboxamide is sourced from PubChem (CID 16966196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).