N-[3-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide

C27H30N4O3 — CID 16964514

IUPACN-[3-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide
SMILESCOc1ccc(OCCCCn2c(CCCNC(=O)c3cccnc3)nc3ccccc32)cc1
InChIInChI=1S/C27H30N4O3/c1-33-22-12-14-23(15-13-22)34-19-5-4-18-31-25-10-3-2-9-24(25)30-26(31)11-7-17-29-27(32)21-8-6-16-28-20-21/h2-3,6,8-10,12-16,20H,4-5,7,11,17-19H2,1H3,(H,29,32)
InChIKeyYDQVWOUYMJNWAA-UHFFFAOYSA-N
MW458.56 g/mol
LogP4.66
Rot. Bonds12

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

N-[3-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide (PubChem CID 16964514) has the molecular formula C27H30N4O3 and a molecular weight of 458.56 g/mol. Its IUPAC name is N-[3-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide
PubChem CID16964514
Molecular FormulaC27H30N4O3
Molecular Weight458.56 g/mol
Exact Mass458.23
IUPAC NameN-[3-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide
SMILESCOc1ccc(OCCCCn2c(CCCNC(=O)c3cccnc3)nc3ccccc32)cc1
InChIInChI=1S/C27H30N4O3/c1-33-22-12-14-23(15-13-22)34-19-5-4-18-31-25-10-3-2-9-24(25)30-26(31)11-7-17-29-27(32)21-8-6-16-28-20-21/h2-3,6,8-10,12-16,20H,4-5,7,11,17-19H2,1H3,(H,29,32)
InChIKeyYDQVWOUYMJNWAA-UHFFFAOYSA-N
XLogP4.66
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide
CID 16964490
N-[3-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide
CID 16964463
N-[3-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]propyl]benzamide
CID 16982302
N-[3-[1-[4-(3,4-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide
CID 16964509
N-[3-[1-(2-methoxyethyl)benzimidazol-2-yl]propyl]pyridine-3-carboxamide
CID 16964519
N-[3-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide
CID 16964479
N-[3-[1-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]propyl]-3-methoxybenzamide
CID 16983745
N-[3-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide
CID 16964498
3-methoxy-N-[3-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide
CID 16983688
4-methoxy-N-[5-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]pentyl]benzamide
CID 16991331
N-[5-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]pentyl]-4-methoxybenzamide
CID 16991334
N-[3-[1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]propyl]benzamide
CID 16982304

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide (CID 16964514) is N-[3-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide is COc1ccc(OCCCCn2c(CCCNC(=O)c3cccnc3)nc3ccccc32)cc1.
What is the InChIKey of N-[3-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide?
The InChIKey is YDQVWOUYMJNWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O3/c1-33-22-12-14-23(15-13-22)34-19-5-4-18-31-25-10-3-2-9-24(25)30-26(31)11-7-17-29-27(32)21-8-6-16-28-20-21/h2-3,6,8-10,12-16,20H,4-5,7,11,17-19H2,1H3,(H,29,32).
What are the key properties of N-[3-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide?
N-[3-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide has a molecular weight of 458.56 g/mol, XLogP of 4.66, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide is sourced from PubChem (CID 16964514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).