3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide

C19H22N4O4 — CID 18119091

IUPAC3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide
SMILESCCn1c(=O)n(CCC(=O)NCC(=O)NCc2ccco2)c2ccccc21
InChIInChI=1S/C19H22N4O4/c1-2-22-15-7-3-4-8-16(15)23(19(22)26)10-9-17(24)21-13-18(25)20-12-14-6-5-11-27-14/h3-8,11H,2,9-10,12-13H2,1H3,(H,20,25)(H,21,24)
InChIKeyWVNYWLFBSCCJIC-UHFFFAOYSA-N
MW370.41 g/mol
LogP1.24
Rot. Bonds8

About 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide

3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide (PubChem CID 18119091) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide.

Molecular Properties

Compound Name3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide
PubChem CID18119091
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Name3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide
SMILESCCn1c(=O)n(CCC(=O)NCC(=O)NCc2ccco2)c2ccccc21
InChIInChI=1S/C19H22N4O4/c1-2-22-15-7-3-4-8-16(15)23(19(22)26)10-9-17(24)21-13-18(25)20-12-14-6-5-11-27-14/h3-8,11H,2,9-10,12-13H2,1H3,(H,20,25)(H,21,24)
InChIKeyWVNYWLFBSCCJIC-UHFFFAOYSA-N
XLogP1.24
TPSA98.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoylamino]-N-propylpropanamide
CID 55953573
3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide
CID 40669798
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-methylbutyl)propanamide
CID 16573526
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide
CID 27781697
3-[1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(furan-2-ylmethyl)propanamide
CID 46247565
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3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]propanamide
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5-[1-[2-(dipropylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(furan-2-ylmethyl)pentanamide
CID 3236263
3-(azepan-1-yl)-N-(furan-2-ylmethyl)propanamide
CID 109018473
N-(furan-2-ylmethyl)-3-piperidin-1-ylpropanamide
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1-ethyl-N-(furan-2-ylmethyl)-3-methylindole-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide?
The IUPAC name of 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide (CID 18119091) is 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide.
What is the SMILES notation for 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide?
The canonical SMILES for 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide is CCn1c(=O)n(CCC(=O)NCC(=O)NCc2ccco2)c2ccccc21.
What is the InChIKey of 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide?
The InChIKey is WVNYWLFBSCCJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-2-22-15-7-3-4-8-16(15)23(19(22)26)10-9-17(24)21-13-18(25)20-12-14-6-5-11-27-14/h3-8,11H,2,9-10,12-13H2,1H3,(H,20,25)(H,21,24).
What are the key properties of 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide?
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide has a molecular weight of 370.41 g/mol, XLogP of 1.24, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide is sourced from PubChem (CID 18119091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).