N-[[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide

C20H18N4O4 — CID 17029255

IUPACN-[[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide
SMILESO=C(Cn1c(CNC(=O)c2ccco2)nc2ccccc21)NCc1ccco1
InChIInChI=1S/C20H18N4O4/c25-19(21-11-14-5-3-9-27-14)13-24-16-7-2-1-6-15(16)23-18(24)12-22-20(26)17-8-4-10-28-17/h1-10H,11-13H2,(H,21,25)(H,22,26)
InChIKeyGMIFEAVMJBJRNC-UHFFFAOYSA-N
MW378.39 g/mol
LogP2.47
Rot. Bonds7

About N-[[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide

N-[[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide (PubChem CID 17029255) has the molecular formula C20H18N4O4 and a molecular weight of 378.39 g/mol. Its IUPAC name is N-[[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide
PubChem CID17029255
Molecular FormulaC20H18N4O4
Molecular Weight378.39 g/mol
Exact Mass378.13
IUPAC NameN-[[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide
SMILESO=C(Cn1c(CNC(=O)c2ccco2)nc2ccccc21)NCc1ccco1
InChIInChI=1S/C20H18N4O4/c25-19(21-11-14-5-3-9-27-14)13-24-16-7-2-1-6-15(16)23-18(24)12-22-20(26)17-8-4-10-28-17/h1-10H,11-13H2,(H,21,25)(H,22,26)
InChIKeyGMIFEAVMJBJRNC-UHFFFAOYSA-N
XLogP2.47
TPSA102.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17029304
N-[[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-methylpropanamide
CID 17029059
N-[1-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 17030171
N-(furan-2-ylmethyl)-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
CID 34317292
N-[[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]methyl]furan-2-carboxamide
CID 16973964
N-[[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide
CID 16973957
2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 17030952
N-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]furan-2-carboxamide
CID 16619678
N-[[1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide
CID 17029284
2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 4234057
N-[[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide
CID 16619314
N-[3-[1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzimidazol-2-yl]propyl]furan-2-carboxamide
CID 17031245

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide?
The IUPAC name of N-[[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide (CID 17029255) is N-[[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-[[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide?
The canonical SMILES for N-[[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide is O=C(Cn1c(CNC(=O)c2ccco2)nc2ccccc21)NCc1ccco1.
What is the InChIKey of N-[[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide?
The InChIKey is GMIFEAVMJBJRNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O4/c25-19(21-11-14-5-3-9-27-14)13-24-16-7-2-1-6-15(16)23-18(24)12-22-20(26)17-8-4-10-28-17/h1-10H,11-13H2,(H,21,25)(H,22,26).
What are the key properties of N-[[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide?
N-[[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide has a molecular weight of 378.39 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 17029255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).