3-(benzimidazol-1-yl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one

C22H26N4O — CID 40708470

IUPAC3-(benzimidazol-1-yl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one
SMILESCc1cccc(N2CCN(C(=O)CCn3cnc4ccccc43)CC2)c1C
InChIInChI=1S/C22H26N4O/c1-17-6-5-9-20(18(17)2)24-12-14-25(15-13-24)22(27)10-11-26-16-23-19-7-3-4-8-21(19)26/h3-9,16H,10-15H2,1-2H3
InChIKeyHSKRQWLARZTYFB-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.39
Rot. Bonds4

About 3-(benzimidazol-1-yl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one

3-(benzimidazol-1-yl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one (PubChem CID 40708470) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 3-(benzimidazol-1-yl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(benzimidazol-1-yl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one
PubChem CID40708470
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name3-(benzimidazol-1-yl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one
SMILESCc1cccc(N2CCN(C(=O)CCn3cnc4ccccc43)CC2)c1C
InChIInChI=1S/C22H26N4O/c1-17-6-5-9-20(18(17)2)24-12-14-25(15-13-24)22(27)10-11-26-16-23-19-7-3-4-8-21(19)26/h3-9,16H,10-15H2,1-2H3
InChIKeyHSKRQWLARZTYFB-UHFFFAOYSA-N
XLogP3.39
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-3,6,7-trimethylquinoxalin-2-one
CID 46324518
3-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one
CID 27873849
3-(benzimidazol-1-yl)-1-(3-hydroxypyrrolidin-1-yl)propan-1-one
CID 62918787
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-morpholin-4-ylpropan-1-one
CID 110688452
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-phenoxybutan-1-one
CID 2164014
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-pyrrol-1-ylethanone
CID 5308589
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]butane-1,3-dione
CID 18073226
5-bromo-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]pentan-1-one
CID 67721117
1-[3-(benzimidazol-1-yl)propanoyl]-5-methylpiperidine-3-carboxylic acid
CID 122117922
2-(4-acetylpiperazin-1-yl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone
CID 108996074
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one
CID 110388329
1-[3-(benzimidazol-1-yl)propanoyl]-4-methyl-1,4-diazepane-6-carboxamide
CID 110107405

Frequently Asked Questions

What is the IUPAC name of 3-(benzimidazol-1-yl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(benzimidazol-1-yl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one (CID 40708470) is 3-(benzimidazol-1-yl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(benzimidazol-1-yl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(benzimidazol-1-yl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one is Cc1cccc(N2CCN(C(=O)CCn3cnc4ccccc43)CC2)c1C.
What is the InChIKey of 3-(benzimidazol-1-yl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one?
The InChIKey is HSKRQWLARZTYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-17-6-5-9-20(18(17)2)24-12-14-25(15-13-24)22(27)10-11-26-16-23-19-7-3-4-8-21(19)26/h3-9,16H,10-15H2,1-2H3.
What are the key properties of 3-(benzimidazol-1-yl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one?
3-(benzimidazol-1-yl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one has a molecular weight of 362.48 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzimidazol-1-yl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 40708470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).