N-[3-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide

C26H28N4O2 — CID 16964479

IUPACN-[3-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide
SMILESCc1cccc(OCCCn2c(CCCNC(=O)c3cccnc3)nc3ccccc32)c1
InChIInChI=1S/C26H28N4O2/c1-20-8-4-10-22(18-20)32-17-7-16-30-24-12-3-2-11-23(24)29-25(30)13-6-15-28-26(31)21-9-5-14-27-19-21/h2-5,8-12,14,18-19H,6-7,13,15-17H2,1H3,(H,28,31)
InChIKeyDAYNFAXLEIHWTD-UHFFFAOYSA-N
MW428.54 g/mol
LogP4.57
Rot. Bonds10

About N-[3-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide

N-[3-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide (PubChem CID 16964479) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is N-[3-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide
PubChem CID16964479
Molecular FormulaC26H28N4O2
Molecular Weight428.54 g/mol
Exact Mass428.22
IUPAC NameN-[3-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide
SMILESCc1cccc(OCCCn2c(CCCNC(=O)c3cccnc3)nc3ccccc32)c1
InChIInChI=1S/C26H28N4O2/c1-20-8-4-10-22(18-20)32-17-7-16-30-24-12-3-2-11-23(24)29-25(30)13-6-15-28-26(31)21-9-5-14-27-19-21/h2-5,8-12,14,18-19H,6-7,13,15-17H2,1H3,(H,28,31)
InChIKeyDAYNFAXLEIHWTD-UHFFFAOYSA-N
XLogP4.57
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[1-[4-(3,4-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide
CID 16964509
N-[5-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide
CID 16989356
N-[3-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide
CID 16964490
N-[3-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide
CID 16964514
N-[3-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide
CID 16964498
N-[3-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide
CID 16964463
N-[3-[1-(2-methoxyethyl)benzimidazol-2-yl]propyl]pyridine-3-carboxamide
CID 16964519
N-[3-[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]propyl]-3-methoxybenzamide
CID 16983711
3-methoxy-N-[2-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 16978144
2-ethyl-N-[3-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]propyl]butanamide
CID 16981036
3-methyl-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]benzamide
CID 16990344
N-[3-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]propyl]-2-phenoxyacetamide
CID 16986299

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide (CID 16964479) is N-[3-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide is Cc1cccc(OCCCn2c(CCCNC(=O)c3cccnc3)nc3ccccc32)c1.
What is the InChIKey of N-[3-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide?
The InChIKey is DAYNFAXLEIHWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2/c1-20-8-4-10-22(18-20)32-17-7-16-30-24-12-3-2-11-23(24)29-25(30)13-6-15-28-26(31)21-9-5-14-27-19-21/h2-5,8-12,14,18-19H,6-7,13,15-17H2,1H3,(H,28,31).
What are the key properties of N-[3-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide?
N-[3-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide has a molecular weight of 428.54 g/mol, XLogP of 4.57, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide is sourced from PubChem (CID 16964479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).