2-methyl-1-[4-[3-(1-methylbenzimidazol-2-yl)phenyl]piperazin-1-yl]propan-1-one

C22H26N4O — CID 59568379

IUPAC2-methyl-1-[4-[3-(1-methylbenzimidazol-2-yl)phenyl]piperazin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCN(c2cccc(-c3nc4ccccc4n3C)c2)CC1
InChIInChI=1S/C22H26N4O/c1-16(2)22(27)26-13-11-25(12-14-26)18-8-6-7-17(15-18)21-23-19-9-4-5-10-20(19)24(21)3/h4-10,15-16H,11-14H2,1-3H3
InChIKeyHKSGGWPKQPKOKL-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.54
Rot. Bonds3

About 2-methyl-1-[4-[3-(1-methylbenzimidazol-2-yl)phenyl]piperazin-1-yl]propan-1-one

2-methyl-1-[4-[3-(1-methylbenzimidazol-2-yl)phenyl]piperazin-1-yl]propan-1-one (PubChem CID 59568379) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 2-methyl-1-[4-[3-(1-methylbenzimidazol-2-yl)phenyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[4-[3-(1-methylbenzimidazol-2-yl)phenyl]piperazin-1-yl]propan-1-one
PubChem CID59568379
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name2-methyl-1-[4-[3-(1-methylbenzimidazol-2-yl)phenyl]piperazin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCN(c2cccc(-c3nc4ccccc4n3C)c2)CC1
InChIInChI=1S/C22H26N4O/c1-16(2)22(27)26-13-11-25(12-14-26)18-8-6-7-17(15-18)21-23-19-9-4-5-10-20(19)24(21)3/h4-10,15-16H,11-14H2,1-3H3
InChIKeyHKSGGWPKQPKOKL-UHFFFAOYSA-N
XLogP3.54
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[3-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]piperazin-1-yl]-2-methylpropan-1-one
CID 68671268
2-methoxy-1-[4-[3-(1-methylbenzimidazol-2-yl)phenyl]piperazin-1-yl]ethanone
CID 59568242
1-methyl-2-[3-[4-(2-methylpropyl)piperazin-1-yl]phenyl]benzimidazole
CID 59568251
1-methyl-2-(3-piperazin-1-ylphenyl)benzimidazole
CID 59568337
[4-[3-(1-methylbenzimidazol-2-yl)phenyl]-1,4-diazepan-1-yl]-[(2S)-1-methylpyrrolidin-2-yl]methanone
CID 59568257
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
[5-[3-(1-methylbenzimidazol-2-yl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 127049409
N,N,N'-trimethyl-N'-[1-[3-(1-methylbenzimidazol-2-yl)phenyl]piperidin-4-yl]ethane-1,2-diamine
CID 59568340
1-methyl-2-(3-pyrrol-1-ylphenyl)benzimidazole
CID 141305843
[(3R)-1-[3-(1-methylbenzimidazol-2-yl)phenyl]piperidin-3-yl]-piperazin-1-ylmethanone
CID 67099362
1-[4-[3-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]piperazin-1-yl]-2-(dimethylamino)ethanone
CID 59568051

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-[3-(1-methylbenzimidazol-2-yl)phenyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[4-[3-(1-methylbenzimidazol-2-yl)phenyl]piperazin-1-yl]propan-1-one (CID 59568379) is 2-methyl-1-[4-[3-(1-methylbenzimidazol-2-yl)phenyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[4-[3-(1-methylbenzimidazol-2-yl)phenyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[4-[3-(1-methylbenzimidazol-2-yl)phenyl]piperazin-1-yl]propan-1-one is CC(C)C(=O)N1CCN(c2cccc(-c3nc4ccccc4n3C)c2)CC1.
What is the InChIKey of 2-methyl-1-[4-[3-(1-methylbenzimidazol-2-yl)phenyl]piperazin-1-yl]propan-1-one?
The InChIKey is HKSGGWPKQPKOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-16(2)22(27)26-13-11-25(12-14-26)18-8-6-7-17(15-18)21-23-19-9-4-5-10-20(19)24(21)3/h4-10,15-16H,11-14H2,1-3H3.
What are the key properties of 2-methyl-1-[4-[3-(1-methylbenzimidazol-2-yl)phenyl]piperazin-1-yl]propan-1-one?
2-methyl-1-[4-[3-(1-methylbenzimidazol-2-yl)phenyl]piperazin-1-yl]propan-1-one has a molecular weight of 362.48 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-[3-(1-methylbenzimidazol-2-yl)phenyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 59568379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).