N-[2-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide

C24H25N3O4 — CID 16975498

IUPACN-[2-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
SMILESCOc1cccc(OCCCn2c(CCNC(=O)c3ccco3)nc3ccccc32)c1
InChIInChI=1S/C24H25N3O4/c1-29-18-7-4-8-19(17-18)30-16-6-14-27-21-10-3-2-9-20(21)26-23(27)12-13-25-24(28)22-11-5-15-31-22/h2-5,7-11,15,17H,6,12-14,16H2,1H3,(H,25,28)
InChIKeyHWCQZUBJILRLKG-UHFFFAOYSA-N
MW419.48 g/mol
LogP4.08
Rot. Bonds10

About N-[2-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide

N-[2-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide (PubChem CID 16975498) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is N-[2-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
PubChem CID16975498
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC NameN-[2-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
SMILESCOc1cccc(OCCCn2c(CCNC(=O)c3ccco3)nc3ccccc32)c1
InChIInChI=1S/C24H25N3O4/c1-29-18-7-4-8-19(17-18)30-16-6-14-27-21-10-3-2-9-20(21)26-23(27)12-13-25-24(28)22-11-5-15-31-22/h2-5,7-11,15,17H,6,12-14,16H2,1H3,(H,25,28)
InChIKeyHWCQZUBJILRLKG-UHFFFAOYSA-N
XLogP4.08
TPSA78.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 54.08
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]furan-2-carboxamide
CID 4754691
N-[2-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 16975792
N-[2-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]acetamide
CID 16974210
4-fluoro-N-[2-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977358
N-[2-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16975510
N-[5-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide
CID 16994676
N-[2-[1-[2-(3-methoxyanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 17030625
3-methoxy-N-[2-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 16978144
N-[3-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]propyl]furan-2-carboxamide
CID 4754686
2-chloro-N-[5-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide
CID 16989843
N-[1-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16973541
N-[2-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide
CID 16975254

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide (CID 16975498) is N-[2-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide is COc1cccc(OCCCn2c(CCNC(=O)c3ccco3)nc3ccccc32)c1.
What is the InChIKey of N-[2-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide?
The InChIKey is HWCQZUBJILRLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4/c1-29-18-7-4-8-19(17-18)30-16-6-14-27-21-10-3-2-9-20(21)26-23(27)12-13-25-24(28)22-11-5-15-31-22/h2-5,7-11,15,17H,6,12-14,16H2,1H3,(H,25,28).
What are the key properties of N-[2-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide?
N-[2-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide has a molecular weight of 419.48 g/mol, XLogP of 4.08, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide is sourced from PubChem (CID 16975498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).