1-[2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-3-ethylbenzimidazol-2-one

C24H30N4O3 — CID 34564059

IUPAC1-[2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-3-ethylbenzimidazol-2-one
SMILESCCOc1ccc(CN2CCN(C(=O)Cn3c(=O)n(CC)c4ccccc43)CC2)cc1
InChIInChI=1S/C24H30N4O3/c1-3-27-21-7-5-6-8-22(21)28(24(27)30)18-23(29)26-15-13-25(14-16-26)17-19-9-11-20(12-10-19)31-4-2/h5-12H,3-4,13-18H2,1-2H3
InChIKeyRMELDVWKQWDXIX-UHFFFAOYSA-N
MW422.53 g/mol
LogP2.57
Rot. Bonds7

About 1-[2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-3-ethylbenzimidazol-2-one

1-[2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-3-ethylbenzimidazol-2-one (PubChem CID 34564059) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is 1-[2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-3-ethylbenzimidazol-2-one.

Molecular Properties

Compound Name1-[2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-3-ethylbenzimidazol-2-one
PubChem CID34564059
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC Name1-[2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-3-ethylbenzimidazol-2-one
SMILESCCOc1ccc(CN2CCN(C(=O)Cn3c(=O)n(CC)c4ccccc43)CC2)cc1
InChIInChI=1S/C24H30N4O3/c1-3-27-21-7-5-6-8-22(21)28(24(27)30)18-23(29)26-15-13-25(14-16-26)17-19-9-11-20(12-10-19)31-4-2/h5-12H,3-4,13-18H2,1-2H3
InChIKeyRMELDVWKQWDXIX-UHFFFAOYSA-N
XLogP2.57
TPSA59.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-3-ethylbenzimidazol-2-one with MolForge

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Related Compounds

2-(4-ethoxyphenyl)-1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]ethanone
CID 55461138
1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-2-phenoxyethanone;oxalic acid
CID 163329557
3-ethyl-1-[2-oxo-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]quinazoline-2,4-dione
CID 42572847
1-ethyl-3-[2-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-oxoethyl]benzimidazol-2-one
CID 32772139
1-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-3-ethylbenzimidazol-2-one
CID 119374924
2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 34932262
1-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-3-propylsulfonylbenzimidazol-2-one
CID 42793010
1-ethyl-3-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]benzimidazol-2-one
CID 31947890
[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-phenylmethanone;oxalic acid
CID 17366016
1-ethyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]benzimidazol-2-one
CID 38909999
1-benzyl-3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]benzimidazol-2-one
CID 10693965
N-(1-benzylpiperidin-4-yl)-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 34363205

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-3-ethylbenzimidazol-2-one?
The IUPAC name of 1-[2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-3-ethylbenzimidazol-2-one (CID 34564059) is 1-[2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-3-ethylbenzimidazol-2-one.
What is the SMILES notation for 1-[2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-3-ethylbenzimidazol-2-one?
The canonical SMILES for 1-[2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-3-ethylbenzimidazol-2-one is CCOc1ccc(CN2CCN(C(=O)Cn3c(=O)n(CC)c4ccccc43)CC2)cc1.
What is the InChIKey of 1-[2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-3-ethylbenzimidazol-2-one?
The InChIKey is RMELDVWKQWDXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-3-27-21-7-5-6-8-22(21)28(24(27)30)18-23(29)26-15-13-25(14-16-26)17-19-9-11-20(12-10-19)31-4-2/h5-12H,3-4,13-18H2,1-2H3.
What are the key properties of 1-[2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-3-ethylbenzimidazol-2-one?
1-[2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-3-ethylbenzimidazol-2-one has a molecular weight of 422.53 g/mol, XLogP of 2.57, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-3-ethylbenzimidazol-2-one is sourced from PubChem (CID 34564059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).