2-methoxy-1-[4-[3-(1-methylbenzimidazol-2-yl)phenyl]piperazin-1-yl]ethanone

C21H24N4O2 — CID 59568242

IUPAC2-methoxy-1-[4-[3-(1-methylbenzimidazol-2-yl)phenyl]piperazin-1-yl]ethanone
SMILESCOCC(=O)N1CCN(c2cccc(-c3nc4ccccc4n3C)c2)CC1
InChIInChI=1S/C21H24N4O2/c1-23-19-9-4-3-8-18(19)22-21(23)16-6-5-7-17(14-16)24-10-12-25(13-11-24)20(26)15-27-2/h3-9,14H,10-13,15H2,1-2H3
InChIKeyJBRIAWQMQNAHEQ-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.54
Rot. Bonds4

About 2-methoxy-1-[4-[3-(1-methylbenzimidazol-2-yl)phenyl]piperazin-1-yl]ethanone

2-methoxy-1-[4-[3-(1-methylbenzimidazol-2-yl)phenyl]piperazin-1-yl]ethanone (PubChem CID 59568242) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-methoxy-1-[4-[3-(1-methylbenzimidazol-2-yl)phenyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[4-[3-(1-methylbenzimidazol-2-yl)phenyl]piperazin-1-yl]ethanone
PubChem CID59568242
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name2-methoxy-1-[4-[3-(1-methylbenzimidazol-2-yl)phenyl]piperazin-1-yl]ethanone
SMILESCOCC(=O)N1CCN(c2cccc(-c3nc4ccccc4n3C)c2)CC1
InChIInChI=1S/C21H24N4O2/c1-23-19-9-4-3-8-18(19)22-21(23)16-6-5-7-17(14-16)24-10-12-25(13-11-24)20(26)15-27-2/h3-9,14H,10-13,15H2,1-2H3
InChIKeyJBRIAWQMQNAHEQ-UHFFFAOYSA-N
XLogP2.54
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-1-[4-[3-(1-methylbenzimidazol-2-yl)phenyl]piperazin-1-yl]propan-1-one
CID 59568379
1-methyl-2-(3-piperazin-1-ylphenyl)benzimidazole
CID 59568337
1-methyl-2-[3-[4-(2-methylpropyl)piperazin-1-yl]phenyl]benzimidazole
CID 59568251
[4-[3-(1-methylbenzimidazol-2-yl)phenyl]-1,4-diazepan-1-yl]-[(2S)-1-methylpyrrolidin-2-yl]methanone
CID 59568257
1-[4-[3-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]piperazin-1-yl]-2-(dimethylamino)ethanone
CID 59568051
tert-butyl (3R)-3-[4-[3-(1-methylbenzimidazol-2-yl)phenyl]piperazine-1-carbonyl]piperidine-1-carboxylate
CID 59568263
tert-butyl (2S,4R)-4-hydroxy-2-[4-[3-(1-methylbenzimidazol-2-yl)phenyl]piperazine-1-carbonyl]pyrrolidine-1-carboxylate
CID 59568160
2-(2-methylbenzimidazol-1-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 51287699
N,N,N'-trimethyl-N'-[1-[3-(1-methylbenzimidazol-2-yl)phenyl]piperidin-4-yl]ethane-1,2-diamine
CID 59568340
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(1-methylbenzimidazol-2-yl)sulfanylethanone
CID 40673779
tert-butyl N-[2-[4-[3-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]piperazin-1-yl]-2-oxoethyl]carbamate
CID 59568168
tert-butyl 3-[[4-[3-(1-methylbenzimidazol-2-yl)phenyl]piperazin-1-yl]methyl]piperidine-1-carboxylate;formic acid
CID 161029585

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[4-[3-(1-methylbenzimidazol-2-yl)phenyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-methoxy-1-[4-[3-(1-methylbenzimidazol-2-yl)phenyl]piperazin-1-yl]ethanone (CID 59568242) is 2-methoxy-1-[4-[3-(1-methylbenzimidazol-2-yl)phenyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[4-[3-(1-methylbenzimidazol-2-yl)phenyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[4-[3-(1-methylbenzimidazol-2-yl)phenyl]piperazin-1-yl]ethanone is COCC(=O)N1CCN(c2cccc(-c3nc4ccccc4n3C)c2)CC1.
What is the InChIKey of 2-methoxy-1-[4-[3-(1-methylbenzimidazol-2-yl)phenyl]piperazin-1-yl]ethanone?
The InChIKey is JBRIAWQMQNAHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-23-19-9-4-3-8-18(19)22-21(23)16-6-5-7-17(14-16)24-10-12-25(13-11-24)20(26)15-27-2/h3-9,14H,10-13,15H2,1-2H3.
What are the key properties of 2-methoxy-1-[4-[3-(1-methylbenzimidazol-2-yl)phenyl]piperazin-1-yl]ethanone?
2-methoxy-1-[4-[3-(1-methylbenzimidazol-2-yl)phenyl]piperazin-1-yl]ethanone has a molecular weight of 364.45 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[4-[3-(1-methylbenzimidazol-2-yl)phenyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 59568242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).