N-[4-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethylcarbamoyl]phenyl]furan-2-carboxamide

C21H18N4O4 — CID 55736204

IUPACN-[4-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethylcarbamoyl]phenyl]furan-2-carboxamide
SMILESCC(NC(=O)c1ccc(NC(=O)c2ccco2)cc1)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C21H18N4O4/c1-12(14-6-9-16-17(11-14)25-21(28)24-16)22-19(26)13-4-7-15(8-5-13)23-20(27)18-3-2-10-29-18/h2-12H,1H3,(H,22,26)(H,23,27)(H2,24,25,28)
InChIKeyFVDKWXMKJLQGAO-UHFFFAOYSA-N
MW390.40 g/mol
LogP3.19
Rot. Bonds5

About N-[4-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethylcarbamoyl]phenyl]furan-2-carboxamide

N-[4-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethylcarbamoyl]phenyl]furan-2-carboxamide (PubChem CID 55736204) has the molecular formula C21H18N4O4 and a molecular weight of 390.40 g/mol. Its IUPAC name is N-[4-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethylcarbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethylcarbamoyl]phenyl]furan-2-carboxamide
PubChem CID55736204
Molecular FormulaC21H18N4O4
Molecular Weight390.40 g/mol
Exact Mass390.13
IUPAC NameN-[4-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethylcarbamoyl]phenyl]furan-2-carboxamide
SMILESCC(NC(=O)c1ccc(NC(=O)c2ccco2)cc1)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C21H18N4O4/c1-12(14-6-9-16-17(11-14)25-21(28)24-16)22-19(26)13-4-7-15(8-5-13)23-20(27)18-3-2-10-29-18/h2-12H,1H3,(H,22,26)(H,23,27)(H2,24,25,28)
InChIKeyFVDKWXMKJLQGAO-UHFFFAOYSA-N
XLogP3.19
TPSA119.99 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 53.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[1-(4-propan-2-ylphenyl)ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 55388221
N-[4-[(4-propan-2-ylbenzoyl)amino]phenyl]furan-2-carboxamide
CID 1114254
4-[(dimethylamino)methyl]-N-[(1R)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide
CID 95289715
N-[4-[1-(2-chlorophenyl)ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 51205981
N-[4-[1-(2-bromophenyl)ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 24544718
N-[4-[[(1R)-1-(2-bromophenyl)ethyl]carbamoyl]phenyl]furan-2-carboxamide
CID 9152076
N-[4-[[(1R)-1-(1-benzofuran-2-yl)ethyl]carbamoyl]phenyl]furan-2-carboxamide
CID 9368629
N-[4-(1-methoxypropan-2-ylcarbamoyl)phenyl]furan-2-carboxamide
CID 51219141
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
2-oxo-N-[(1S)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1H-pyridine-3-carboxamide
CID 94147869
N-(4-ethylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692366
2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,3-dihydrobenzimidazole-5-carboxamide
CID 59347105

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethylcarbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethylcarbamoyl]phenyl]furan-2-carboxamide (CID 55736204) is N-[4-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethylcarbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethylcarbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethylcarbamoyl]phenyl]furan-2-carboxamide is CC(NC(=O)c1ccc(NC(=O)c2ccco2)cc1)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of N-[4-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethylcarbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is FVDKWXMKJLQGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O4/c1-12(14-6-9-16-17(11-14)25-21(28)24-16)22-19(26)13-4-7-15(8-5-13)23-20(27)18-3-2-10-29-18/h2-12H,1H3,(H,22,26)(H,23,27)(H2,24,25,28).
What are the key properties of N-[4-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethylcarbamoyl]phenyl]furan-2-carboxamide?
N-[4-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethylcarbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 390.40 g/mol, XLogP of 3.19, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethylcarbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 55736204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).