N-[2-[1-[2-(3-methoxyanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide

C23H22N4O4 — CID 17030625

IUPACN-[2-[1-[2-(3-methoxyanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
SMILESCOc1cccc(NC(=O)Cn2c(CCNC(=O)c3ccco3)nc3ccccc32)c1
InChIInChI=1S/C23H22N4O4/c1-30-17-7-4-6-16(14-17)25-22(28)15-27-19-9-3-2-8-18(19)26-21(27)11-12-24-23(29)20-10-5-13-31-20/h2-10,13-14H,11-12,15H2,1H3,(H,24,29)(H,25,28)
InChIKeyCWDJHPBMUAYBNM-UHFFFAOYSA-N
MW418.45 g/mol
LogP3.25
Rot. Bonds8

About N-[2-[1-[2-(3-methoxyanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide

N-[2-[1-[2-(3-methoxyanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide (PubChem CID 17030625) has the molecular formula C23H22N4O4 and a molecular weight of 418.45 g/mol. Its IUPAC name is N-[2-[1-[2-(3-methoxyanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[1-[2-(3-methoxyanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
PubChem CID17030625
Molecular FormulaC23H22N4O4
Molecular Weight418.45 g/mol
Exact Mass418.16
IUPAC NameN-[2-[1-[2-(3-methoxyanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
SMILESCOc1cccc(NC(=O)Cn2c(CCNC(=O)c3ccco3)nc3ccccc32)c1
InChIInChI=1S/C23H22N4O4/c1-30-17-7-4-6-16(14-17)25-22(28)15-27-19-9-3-2-8-18(19)26-21(27)11-12-24-23(29)20-10-5-13-31-20/h2-10,13-14H,11-12,15H2,1H3,(H,24,29)(H,25,28)
InChIKeyCWDJHPBMUAYBNM-UHFFFAOYSA-N
XLogP3.25
TPSA98.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16975498
2-chloro-N-[3-[1-[2-(3-methoxyanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide
CID 17031504
N-[2-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16975472
N-(3-methoxyphenyl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 3597096
methyl 2-[2-[3-(furan-2-carbonylamino)propyl]benzimidazol-1-yl]acetate
CID 16982030
2-[2-[(2-methoxyphenoxy)methyl]benzimidazol-1-yl]-N-(3-methoxyphenyl)acetamide
CID 17031925
N-[2-[1-[2-(cyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 17030610
N-[5-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide
CID 16994651
N-[2-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16975510
N-[3-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]propyl]furan-2-carboxamide
CID 4754691
2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(3-methoxyphenyl)acetamide
CID 17032167
N-[2-[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16975559

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[2-(3-methoxyanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[1-[2-(3-methoxyanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide (CID 17030625) is N-[2-[1-[2-(3-methoxyanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[1-[2-(3-methoxyanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[1-[2-(3-methoxyanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide is COc1cccc(NC(=O)Cn2c(CCNC(=O)c3ccco3)nc3ccccc32)c1.
What is the InChIKey of N-[2-[1-[2-(3-methoxyanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide?
The InChIKey is CWDJHPBMUAYBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4/c1-30-17-7-4-6-16(14-17)25-22(28)15-27-19-9-3-2-8-18(19)26-21(27)11-12-24-23(29)20-10-5-13-31-20/h2-10,13-14H,11-12,15H2,1H3,(H,24,29)(H,25,28).
What are the key properties of N-[2-[1-[2-(3-methoxyanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide?
N-[2-[1-[2-(3-methoxyanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide has a molecular weight of 418.45 g/mol, XLogP of 3.25, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[2-(3-methoxyanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide is sourced from PubChem (CID 17030625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).