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

C21H20N4O4 — CID 17030171

IUPACN-[1-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
SMILESCC(NC(=O)c1ccco1)c1nc2ccccc2n1CC(=O)NCc1ccco1
InChIInChI=1S/C21H20N4O4/c1-14(23-21(27)18-9-5-11-29-18)20-24-16-7-2-3-8-17(16)25(20)13-19(26)22-12-15-6-4-10-28-15/h2-11,14H,12-13H2,1H3,(H,22,26)(H,23,27)
InChIKeyUWDSKDNPGDVNCI-UHFFFAOYSA-N
MW392.42 g/mol
LogP3.03
Rot. Bonds7

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

N-[1-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide (PubChem CID 17030171) has the molecular formula C21H20N4O4 and a molecular weight of 392.42 g/mol. Its IUPAC name is N-[1-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
PubChem CID17030171
Molecular FormulaC21H20N4O4
Molecular Weight392.42 g/mol
Exact Mass392.15
IUPAC NameN-[1-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
SMILESCC(NC(=O)c1ccco1)c1nc2ccccc2n1CC(=O)NCc1ccco1
InChIInChI=1S/C21H20N4O4/c1-14(23-21(27)18-9-5-11-29-18)20-24-16-7-2-3-8-17(16)25(20)13-19(26)22-12-15-6-4-10-28-15/h2-11,14H,12-13H2,1H3,(H,22,26)(H,23,27)
InChIKeyUWDSKDNPGDVNCI-UHFFFAOYSA-N
XLogP3.03
TPSA102.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 17030166
N-[[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide
CID 17029255
N-[(1S)-1-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 26864483
N-[1-[1-[2-(4-methoxyanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 17030191
N-[(1R)-1-(1-pentylbenzimidazol-2-yl)ethyl]furan-2-carboxamide
CID 25345224
N-[[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-methylpropanamide
CID 17029059
N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16619750
N-[(1R)-1-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 42100872
N-[(1S)-1-(1-hexylbenzimidazol-2-yl)ethyl]furan-2-carboxamide
CID 7082664
N-[1-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16973496
N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16619696
N-[(1R)-1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 42100742

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide?
The IUPAC name of N-[1-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide (CID 17030171) is N-[1-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[1-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[1-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide is CC(NC(=O)c1ccco1)c1nc2ccccc2n1CC(=O)NCc1ccco1.
What is the InChIKey of N-[1-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide?
The InChIKey is UWDSKDNPGDVNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O4/c1-14(23-21(27)18-9-5-11-29-18)20-24-16-7-2-3-8-17(16)25(20)13-19(26)22-12-15-6-4-10-28-15/h2-11,14H,12-13H2,1H3,(H,22,26)(H,23,27).
What are the key properties of N-[1-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide?
N-[1-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide has a molecular weight of 392.42 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide is sourced from PubChem (CID 17030171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).