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

C21H24N4O3 — CID 31947890

IUPAC1-ethyl-3-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]benzimidazol-2-one
SMILESCCn1c(=O)n(CC(=O)N2CCN(c3ccccc3O)CC2)c2ccccc21
InChIInChI=1S/C21H24N4O3/c1-2-24-16-7-3-4-8-17(16)25(21(24)28)15-20(27)23-13-11-22(12-14-23)18-9-5-6-10-19(18)26/h3-10,26H,2,11-15H2,1H3
InChIKeyDVBHTLZOXCUHIP-UHFFFAOYSA-N
MW380.45 g/mol
LogP1.88
Rot. Bonds4

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

1-ethyl-3-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]benzimidazol-2-one (PubChem CID 31947890) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 1-ethyl-3-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]benzimidazol-2-one.

Molecular Properties

Compound Name1-ethyl-3-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]benzimidazol-2-one
PubChem CID31947890
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name1-ethyl-3-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]benzimidazol-2-one
SMILESCCn1c(=O)n(CC(=O)N2CCN(c3ccccc3O)CC2)c2ccccc21
InChIInChI=1S/C21H24N4O3/c1-2-24-16-7-3-4-8-17(16)25(21(24)28)15-20(27)23-13-11-22(12-14-23)18-9-5-6-10-19(18)26/h3-10,26H,2,11-15H2,1H3
InChIKeyDVBHTLZOXCUHIP-UHFFFAOYSA-N
XLogP1.88
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

ethyl 4-[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]piperazine-1-carboxylate
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1-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-3-ethylbenzimidazol-2-one
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1-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one
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1-ethyl-3-[2-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-oxoethyl]benzimidazol-2-one
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1-ethyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]benzimidazol-2-one
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1-ethyl-3-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzimidazol-2-one
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2-[1-[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]piperidin-4-yl]acetic acid
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2-[4-[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 55540126
1-ethyl-3-[2-(2-ethylmorpholin-4-yl)-2-oxoethyl]benzimidazol-2-one
CID 43070571
1-ethyl-3-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzimidazol-2-one
CID 24587457
(3R)-1-[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]piperidine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]benzimidazol-2-one?
The IUPAC name of 1-ethyl-3-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]benzimidazol-2-one (CID 31947890) is 1-ethyl-3-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]benzimidazol-2-one.
What is the SMILES notation for 1-ethyl-3-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]benzimidazol-2-one?
The canonical SMILES for 1-ethyl-3-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]benzimidazol-2-one is CCn1c(=O)n(CC(=O)N2CCN(c3ccccc3O)CC2)c2ccccc21.
What is the InChIKey of 1-ethyl-3-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]benzimidazol-2-one?
The InChIKey is DVBHTLZOXCUHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-2-24-16-7-3-4-8-17(16)25(21(24)28)15-20(27)23-13-11-22(12-14-23)18-9-5-6-10-19(18)26/h3-10,26H,2,11-15H2,1H3.
What are the key properties of 1-ethyl-3-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]benzimidazol-2-one?
1-ethyl-3-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]benzimidazol-2-one has a molecular weight of 380.45 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]benzimidazol-2-one is sourced from PubChem (CID 31947890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).