N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-3-(phenoxymethyl)furan-2-carboxamide

C21H19N3O4 — CID 51123477

IUPACN-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-3-(phenoxymethyl)furan-2-carboxamide
SMILESCC(NC(=O)c1occc1COc1ccccc1)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C21H19N3O4/c1-13(14-7-8-17-18(11-14)24-21(26)23-17)22-20(25)19-15(9-10-27-19)12-28-16-5-3-2-4-6-16/h2-11,13H,12H2,1H3,(H,22,25)(H2,23,24,26)
InChIKeyPRRHRORDQXHMFA-UHFFFAOYSA-N
MW377.40 g/mol
LogP3.52
Rot. Bonds6

About N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-3-(phenoxymethyl)furan-2-carboxamide

N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-3-(phenoxymethyl)furan-2-carboxamide (PubChem CID 51123477) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-3-(phenoxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-3-(phenoxymethyl)furan-2-carboxamide
PubChem CID51123477
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC NameN-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-3-(phenoxymethyl)furan-2-carboxamide
SMILESCC(NC(=O)c1occc1COc1ccccc1)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C21H19N3O4/c1-13(14-7-8-17-18(11-14)24-21(26)23-17)22-20(25)19-15(9-10-27-19)12-28-16-5-3-2-4-6-16/h2-11,13H,12H2,1H3,(H,22,25)(H2,23,24,26)
InChIKeyPRRHRORDQXHMFA-UHFFFAOYSA-N
XLogP3.52
TPSA100.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 43071980
N-[1-(3-chlorophenyl)ethyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 46689440
3-(phenoxymethyl)-N-[1-[4-(propanoylamino)phenyl]ethyl]furan-2-carboxamide
CID 46432860
3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]butanoic acid
CID 119220829
N-(1-hydroxypropan-2-yl)-3-(phenoxymethyl)furan-2-carboxamide
CID 78856715
N-[2-(methylamino)propyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 120832904
N-ethoxy-3-(phenoxymethyl)furan-2-carboxamide
CID 30690709
N-[2-(methylamino)ethyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 119503301
N-(2-methoxyethyl)-3-(phenoxymethyl)furan-2-carboxamide
CID 51304876
3-(phenoxymethyl)-N-(2H-triazol-4-ylmethyl)furan-2-carboxamide
CID 75512492
3-(phenoxymethyl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]furan-2-carboxamide
CID 30832733
N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55912812

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-3-(phenoxymethyl)furan-2-carboxamide?
The IUPAC name of N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-3-(phenoxymethyl)furan-2-carboxamide (CID 51123477) is N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-3-(phenoxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-3-(phenoxymethyl)furan-2-carboxamide?
The canonical SMILES for N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-3-(phenoxymethyl)furan-2-carboxamide is CC(NC(=O)c1occc1COc1ccccc1)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-3-(phenoxymethyl)furan-2-carboxamide?
The InChIKey is PRRHRORDQXHMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4/c1-13(14-7-8-17-18(11-14)24-21(26)23-17)22-20(25)19-15(9-10-27-19)12-28-16-5-3-2-4-6-16/h2-11,13H,12H2,1H3,(H,22,25)(H2,23,24,26).
What are the key properties of N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-3-(phenoxymethyl)furan-2-carboxamide?
N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-3-(phenoxymethyl)furan-2-carboxamide has a molecular weight of 377.40 g/mol, XLogP of 3.52, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-3-(phenoxymethyl)furan-2-carboxamide is sourced from PubChem (CID 51123477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).