N-[3-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide

C24H24N4O — CID 16964435

IUPACN-[3-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide
SMILESCc1ccc(Cn2c(CCCNC(=O)c3cccnc3)nc3ccccc32)cc1
InChIInChI=1S/C24H24N4O/c1-18-10-12-19(13-11-18)17-28-22-8-3-2-7-21(22)27-23(28)9-5-15-26-24(29)20-6-4-14-25-16-20/h2-4,6-8,10-14,16H,5,9,15,17H2,1H3,(H,26,29)
InChIKeyXKFUAZDJJDVSLA-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.15
Rot. Bonds7

About N-[3-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide

N-[3-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide (PubChem CID 16964435) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[3-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide
PubChem CID16964435
Molecular FormulaC24H24N4O
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC NameN-[3-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide
SMILESCc1ccc(Cn2c(CCCNC(=O)c3cccnc3)nc3ccccc32)cc1
InChIInChI=1S/C24H24N4O/c1-18-10-12-19(13-11-18)17-28-22-8-3-2-7-21(22)27-23(28)9-5-15-26-24(29)20-6-4-14-25-16-20/h2-4,6-8,10-14,16H,5,9,15,17H2,1H3,(H,26,29)
InChIKeyXKFUAZDJJDVSLA-UHFFFAOYSA-N
XLogP4.15
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.15
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-benzylbenzimidazol-2-yl)propyl]-4-methylbenzamide
CID 16984267
N-[2-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16964253
N-[2-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16964262
N-[3-[1-(2-methoxyethyl)benzimidazol-2-yl]propyl]pyridine-3-carboxamide
CID 16964519
N-[2-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16964272
2-ethyl-N-[3-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]propyl]butanamide
CID 16980992
4-bromo-N-[5-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide
CID 16991580
N-[5-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]pentyl]-4-methylbenzamide
CID 16991895
N-[3-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide
CID 16964498
N-[3-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide
CID 16964479
N-[3-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]propyl]-4-methylbenzamide
CID 16984277
N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16964259

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide (CID 16964435) is N-[3-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide is Cc1ccc(Cn2c(CCCNC(=O)c3cccnc3)nc3ccccc32)cc1.
What is the InChIKey of N-[3-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide?
The InChIKey is XKFUAZDJJDVSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O/c1-18-10-12-19(13-11-18)17-28-22-8-3-2-7-21(22)27-23(28)9-5-15-26-24(29)20-6-4-14-25-16-20/h2-4,6-8,10-14,16H,5,9,15,17H2,1H3,(H,26,29).
What are the key properties of N-[3-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide?
N-[3-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide is sourced from PubChem (CID 16964435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).