1-ethyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]benzimidazol-2-one

C20H22N4O4 — CID 38909999

IUPAC1-ethyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]benzimidazol-2-one
SMILESCCn1c(=O)n(CC(=O)N2CCN(C(=O)c3ccco3)CC2)c2ccccc21
InChIInChI=1S/C20H22N4O4/c1-2-23-15-6-3-4-7-16(15)24(20(23)27)14-18(25)21-9-11-22(12-10-21)19(26)17-8-5-13-28-17/h3-8,13H,2,9-12,14H2,1H3
InChIKeyUKUNKPWCGFOVJR-UHFFFAOYSA-N
MW382.42 g/mol
LogP1.40
Rot. Bonds4

About 1-ethyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]benzimidazol-2-one

1-ethyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]benzimidazol-2-one (PubChem CID 38909999) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is 1-ethyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]benzimidazol-2-one.

Molecular Properties

Compound Name1-ethyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]benzimidazol-2-one
PubChem CID38909999
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC Name1-ethyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]benzimidazol-2-one
SMILESCCn1c(=O)n(CC(=O)N2CCN(C(=O)c3ccco3)CC2)c2ccccc21
InChIInChI=1S/C20H22N4O4/c1-2-23-15-6-3-4-7-16(15)24(20(23)27)14-18(25)21-9-11-22(12-10-21)19(26)17-8-5-13-28-17/h3-8,13H,2,9-12,14H2,1H3
InChIKeyUKUNKPWCGFOVJR-UHFFFAOYSA-N
XLogP1.40
TPSA80.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-ethyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]benzimidazol-2-one with MolForge

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Related Compounds

2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]acetamide
CID 16613683
1-ethyl-3-[2-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-oxoethyl]benzimidazol-2-one
CID 32772139
ethyl 4-[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]piperazine-1-carboxylate
CID 16574565
1-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-3-ethylbenzimidazol-2-one
CID 119374924
1-ethyl-3-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]benzimidazol-2-one
CID 31947890
6-fluoro-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-1H-benzimidazol-2-one
CID 113195390
1-ethyl-3-[2-(2-ethylmorpholin-4-yl)-2-oxoethyl]benzimidazol-2-one
CID 43070571
1-(4-benzylpiperazin-1-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 37377595
2-[1-[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]piperidin-4-yl]acetic acid
CID 119177808
2-(2-ethylpiperidin-1-yl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 109004627
1-(azepan-1-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 78789970
2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 1452094

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]benzimidazol-2-one?
The IUPAC name of 1-ethyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]benzimidazol-2-one (CID 38909999) is 1-ethyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]benzimidazol-2-one.
What is the SMILES notation for 1-ethyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]benzimidazol-2-one?
The canonical SMILES for 1-ethyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]benzimidazol-2-one is CCn1c(=O)n(CC(=O)N2CCN(C(=O)c3ccco3)CC2)c2ccccc21.
What is the InChIKey of 1-ethyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]benzimidazol-2-one?
The InChIKey is UKUNKPWCGFOVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-2-23-15-6-3-4-7-16(15)24(20(23)27)14-18(25)21-9-11-22(12-10-21)19(26)17-8-5-13-28-17/h3-8,13H,2,9-12,14H2,1H3.
What are the key properties of 1-ethyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]benzimidazol-2-one?
1-ethyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]benzimidazol-2-one has a molecular weight of 382.42 g/mol, XLogP of 1.40, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]benzimidazol-2-one is sourced from PubChem (CID 38909999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).