2-[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanone

C22H26N4O2 — CID 645045

IUPAC2-[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanone
SMILESCCn1c(N2CCN(CC(=O)c3ccc(OC)cc3)CC2)nc2ccccc21
InChIInChI=1S/C22H26N4O2/c1-3-26-20-7-5-4-6-19(20)23-22(26)25-14-12-24(13-15-25)16-21(27)17-8-10-18(28-2)11-9-17/h4-11H,3,12-16H2,1-2H3
InChIKeyCTRMEAGXTMDFLF-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.07
Rot. Bonds6

About 2-[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanone

2-[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanone (PubChem CID 645045) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 2-[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanone
PubChem CID645045
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name2-[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanone
SMILESCCn1c(N2CCN(CC(=O)c3ccc(OC)cc3)CC2)nc2ccccc21
InChIInChI=1S/C22H26N4O2/c1-3-26-20-7-5-4-6-19(20)23-22(26)25-14-12-24(13-15-25)16-21(27)17-8-10-18(28-2)11-9-17/h4-11H,3,12-16H2,1-2H3
InChIKeyCTRMEAGXTMDFLF-UHFFFAOYSA-N
XLogP3.07
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanone?
The IUPAC name of 2-[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanone (CID 645045) is 2-[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 2-[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanone?
The canonical SMILES for 2-[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanone is CCn1c(N2CCN(CC(=O)c3ccc(OC)cc3)CC2)nc2ccccc21.
What is the InChIKey of 2-[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanone?
The InChIKey is CTRMEAGXTMDFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-3-26-20-7-5-4-6-19(20)23-22(26)25-14-12-24(13-15-25)16-21(27)17-8-10-18(28-2)11-9-17/h4-11H,3,12-16H2,1-2H3.
What are the key properties of 2-[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanone?
2-[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanone has a molecular weight of 378.48 g/mol, XLogP of 3.07, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 645045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).