ethyl 4-[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]piperazine-1-carboxylate

C18H24N4O4 — CID 16574565

IUPACethyl 4-[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)Cn2c(=O)n(CC)c3ccccc32)CC1
InChIInChI=1S/C18H24N4O4/c1-3-21-14-7-5-6-8-15(14)22(17(21)24)13-16(23)19-9-11-20(12-10-19)18(25)26-4-2/h5-8H,3-4,9-13H2,1-2H3
InChIKeyCELRUZRODFXAGZ-UHFFFAOYSA-N
MW360.41 g/mol
LogP1.12
Rot. Bonds4

About ethyl 4-[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]piperazine-1-carboxylate

ethyl 4-[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]piperazine-1-carboxylate (PubChem CID 16574565) has the molecular formula C18H24N4O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is ethyl 4-[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]piperazine-1-carboxylate
PubChem CID16574565
Molecular FormulaC18H24N4O4
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC Nameethyl 4-[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)Cn2c(=O)n(CC)c3ccccc32)CC1
InChIInChI=1S/C18H24N4O4/c1-3-21-14-7-5-6-8-15(14)22(17(21)24)13-16(23)19-9-11-20(12-10-19)18(25)26-4-2/h5-8H,3-4,9-13H2,1-2H3
InChIKeyCELRUZRODFXAGZ-UHFFFAOYSA-N
XLogP1.12
TPSA76.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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
1-[2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-3-ethylbenzimidazol-2-one
CID 34564059
ethyl 4-[2-(2-methylindol-1-yl)acetyl]piperazine-1-carboxylate
CID 36841011
1-ethyl-3-[2-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-oxoethyl]benzimidazol-2-one
CID 32772139
1-ethyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]benzimidazol-2-one
CID 38909999
2-[1-[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]piperidin-4-yl]acetic acid
CID 119177808
1-ethyl-3-[2-(2-ethylmorpholin-4-yl)-2-oxoethyl]benzimidazol-2-one
CID 43070571
ethyl 4-[2-[3-[(4-methylphenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]acetyl]piperazine-1-carboxylate
CID 41240392
(3R)-1-[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]piperidine-3-carboxamide
CID 94178599
1-ethyl-3-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzimidazol-2-one
CID 110886835
2-[4-[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 55540126

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]piperazine-1-carboxylate (CID 16574565) is ethyl 4-[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)Cn2c(=O)n(CC)c3ccccc32)CC1.
What is the InChIKey of ethyl 4-[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]piperazine-1-carboxylate?
The InChIKey is CELRUZRODFXAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4/c1-3-21-14-7-5-6-8-15(14)22(17(21)24)13-16(23)19-9-11-20(12-10-19)18(25)26-4-2/h5-8H,3-4,9-13H2,1-2H3.
What are the key properties of ethyl 4-[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]piperazine-1-carboxylate?
ethyl 4-[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]piperazine-1-carboxylate has a molecular weight of 360.41 g/mol, XLogP of 1.12, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]piperazine-1-carboxylate is sourced from PubChem (CID 16574565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).