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

C19H22N4O2 — CID 16964519

IUPACN-[3-[1-(2-methoxyethyl)benzimidazol-2-yl]propyl]pyridine-3-carboxamide
SMILESCOCCn1c(CCCNC(=O)c2cccnc2)nc2ccccc21
InChIInChI=1S/C19H22N4O2/c1-25-13-12-23-17-8-3-2-7-16(17)22-18(23)9-5-11-21-19(24)15-6-4-10-20-14-15/h2-4,6-8,10,14H,5,9,11-13H2,1H3,(H,21,24)
InChIKeySVEMWQVYKLFPQR-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.44
Rot. Bonds8

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

N-[3-[1-(2-methoxyethyl)benzimidazol-2-yl]propyl]pyridine-3-carboxamide (PubChem CID 16964519) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[3-[1-(2-methoxyethyl)benzimidazol-2-yl]propyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[1-(2-methoxyethyl)benzimidazol-2-yl]propyl]pyridine-3-carboxamide
PubChem CID16964519
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-[3-[1-(2-methoxyethyl)benzimidazol-2-yl]propyl]pyridine-3-carboxamide
SMILESCOCCn1c(CCCNC(=O)c2cccnc2)nc2ccccc21
InChIInChI=1S/C19H22N4O2/c1-25-13-12-23-17-8-3-2-7-16(17)22-18(23)9-5-11-21-19(24)15-6-4-10-20-14-15/h2-4,6-8,10,14H,5,9,11-13H2,1H3,(H,21,24)
InChIKeySVEMWQVYKLFPQR-UHFFFAOYSA-N
XLogP2.44
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.44
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-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide
CID 16964463
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-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide
CID 16964479
N-[3-[1-[4-(3,4-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide
CID 16964509
N-[2-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16964288
N-[3-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide
CID 16964498
N-[3-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide
CID 16964435
2-methoxy-N-[3-[1-(2-methoxyethyl)benzimidazol-2-yl]propyl]acetamide
CID 16981376
3,4-dimethoxy-N-[3-[1-(2-methoxyethyl)benzimidazol-2-yl]propyl]benzamide
CID 16983900
N-[3-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide
CID 16964522
N-[2-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16964332

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(2-methoxyethyl)benzimidazol-2-yl]propyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-[1-(2-methoxyethyl)benzimidazol-2-yl]propyl]pyridine-3-carboxamide (CID 16964519) is N-[3-[1-(2-methoxyethyl)benzimidazol-2-yl]propyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[1-(2-methoxyethyl)benzimidazol-2-yl]propyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[1-(2-methoxyethyl)benzimidazol-2-yl]propyl]pyridine-3-carboxamide is COCCn1c(CCCNC(=O)c2cccnc2)nc2ccccc21.
What is the InChIKey of N-[3-[1-(2-methoxyethyl)benzimidazol-2-yl]propyl]pyridine-3-carboxamide?
The InChIKey is SVEMWQVYKLFPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-25-13-12-23-17-8-3-2-7-16(17)22-18(23)9-5-11-21-19(24)15-6-4-10-20-14-15/h2-4,6-8,10,14H,5,9,11-13H2,1H3,(H,21,24).
What are the key properties of N-[3-[1-(2-methoxyethyl)benzimidazol-2-yl]propyl]pyridine-3-carboxamide?
N-[3-[1-(2-methoxyethyl)benzimidazol-2-yl]propyl]pyridine-3-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 2.44, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(2-methoxyethyl)benzimidazol-2-yl]propyl]pyridine-3-carboxamide is sourced from PubChem (CID 16964519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).