1-[4-[2-(1,2-dimethylbenzimidazol-5-yl)acetyl]piperazin-1-yl]-2-methylpropan-1-one

C19H26N4O2 — CID 110800386

IUPAC1-[4-[2-(1,2-dimethylbenzimidazol-5-yl)acetyl]piperazin-1-yl]-2-methylpropan-1-one
SMILESCc1nc2cc(CC(=O)N3CCN(C(=O)C(C)C)CC3)ccc2n1C
InChIInChI=1S/C19H26N4O2/c1-13(2)19(25)23-9-7-22(8-10-23)18(24)12-15-5-6-17-16(11-15)20-14(3)21(17)4/h5-6,11,13H,7-10,12H2,1-4H3
InChIKeyLRRBLPVDVDZEIK-UHFFFAOYSA-N
MW342.44 g/mol
LogP1.75
Rot. Bonds3

About 1-[4-[2-(1,2-dimethylbenzimidazol-5-yl)acetyl]piperazin-1-yl]-2-methylpropan-1-one

1-[4-[2-(1,2-dimethylbenzimidazol-5-yl)acetyl]piperazin-1-yl]-2-methylpropan-1-one (PubChem CID 110800386) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-[4-[2-(1,2-dimethylbenzimidazol-5-yl)acetyl]piperazin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-[2-(1,2-dimethylbenzimidazol-5-yl)acetyl]piperazin-1-yl]-2-methylpropan-1-one
PubChem CID110800386
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name1-[4-[2-(1,2-dimethylbenzimidazol-5-yl)acetyl]piperazin-1-yl]-2-methylpropan-1-one
SMILESCc1nc2cc(CC(=O)N3CCN(C(=O)C(C)C)CC3)ccc2n1C
InChIInChI=1S/C19H26N4O2/c1-13(2)19(25)23-9-7-22(8-10-23)18(24)12-15-5-6-17-16(11-15)20-14(3)21(17)4/h5-6,11,13H,7-10,12H2,1-4H3
InChIKeyLRRBLPVDVDZEIK-UHFFFAOYSA-N
XLogP1.75
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(1,2-dimethylbenzimidazol-5-yl)acetyl]-N-propylpiperazine-1-carboxamide
CID 110813172
1-[2-(1,2-dimethylbenzimidazol-5-yl)acetyl]piperidine-4-carboxamide
CID 110773151
2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-1-pyrrolidin-1-ylethanone
CID 110773304
2-(1,2-dimethylbenzimidazol-5-yl)acetohydrazide
CID 116843404
1-[4-[2-(4-bromophenyl)acetyl]piperazin-1-yl]-2-methylpropan-1-one
CID 110817436
2-(1,2-dimethylbenzimidazol-5-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 110773124
2-(1,2-dimethylbenzimidazol-5-yl)ethylcarbamic acid
CID 115171173
1-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]-3-propan-2-ylurea
CID 110776234
2-(1,2-dimethylbenzimidazol-5-yl)-N-(3-methylphenyl)acetamide
CID 110773176
1-[4-[2-(4-bromophenyl)acetyl]-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 110796892
2-(1-methylbenzimidazol-5-yl)-1-pyrrolidin-1-ylethanone
CID 110772869
1-[(1,2-dimethylbenzimidazol-5-yl)methyl]-3-(2,2-dimethylpropyl)urea
CID 110775493

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(1,2-dimethylbenzimidazol-5-yl)acetyl]piperazin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-[2-(1,2-dimethylbenzimidazol-5-yl)acetyl]piperazin-1-yl]-2-methylpropan-1-one (CID 110800386) is 1-[4-[2-(1,2-dimethylbenzimidazol-5-yl)acetyl]piperazin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-[2-(1,2-dimethylbenzimidazol-5-yl)acetyl]piperazin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-[2-(1,2-dimethylbenzimidazol-5-yl)acetyl]piperazin-1-yl]-2-methylpropan-1-one is Cc1nc2cc(CC(=O)N3CCN(C(=O)C(C)C)CC3)ccc2n1C.
What is the InChIKey of 1-[4-[2-(1,2-dimethylbenzimidazol-5-yl)acetyl]piperazin-1-yl]-2-methylpropan-1-one?
The InChIKey is LRRBLPVDVDZEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-13(2)19(25)23-9-7-22(8-10-23)18(24)12-15-5-6-17-16(11-15)20-14(3)21(17)4/h5-6,11,13H,7-10,12H2,1-4H3.
What are the key properties of 1-[4-[2-(1,2-dimethylbenzimidazol-5-yl)acetyl]piperazin-1-yl]-2-methylpropan-1-one?
1-[4-[2-(1,2-dimethylbenzimidazol-5-yl)acetyl]piperazin-1-yl]-2-methylpropan-1-one has a molecular weight of 342.44 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(1,2-dimethylbenzimidazol-5-yl)acetyl]piperazin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 110800386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).