1-(1,2-dimethylbenzimidazol-5-yl)-3-piperazin-1-ylpropan-1-one

C16H22N4O — CID 94724130

IUPAC1-(1,2-dimethylbenzimidazol-5-yl)-3-piperazin-1-ylpropan-1-one
SMILESCc1nc2cc(C(=O)CCN3CCNCC3)ccc2n1C
InChIInChI=1S/C16H22N4O/c1-12-18-14-11-13(3-4-15(14)19(12)2)16(21)5-8-20-9-6-17-7-10-20/h3-4,11,17H,5-10H2,1-2H3
InChIKeyYTIBPPUYRIHBTM-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.36
Rot. Bonds4

About 1-(1,2-dimethylbenzimidazol-5-yl)-3-piperazin-1-ylpropan-1-one

1-(1,2-dimethylbenzimidazol-5-yl)-3-piperazin-1-ylpropan-1-one (PubChem CID 94724130) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-(1,2-dimethylbenzimidazol-5-yl)-3-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(1,2-dimethylbenzimidazol-5-yl)-3-piperazin-1-ylpropan-1-one
PubChem CID94724130
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name1-(1,2-dimethylbenzimidazol-5-yl)-3-piperazin-1-ylpropan-1-one
SMILESCc1nc2cc(C(=O)CCN3CCNCC3)ccc2n1C
InChIInChI=1S/C16H22N4O/c1-12-18-14-11-13(3-4-15(14)19(12)2)16(21)5-8-20-9-6-17-7-10-20/h3-4,11,17H,5-10H2,1-2H3
InChIKeyYTIBPPUYRIHBTM-UHFFFAOYSA-N
XLogP1.36
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-1-(1,2-dimethylbenzimidazol-5-yl)ethanone
CID 39104493
4-(1,2-dimethylbenzimidazol-5-yl)-4-oxobutanenitrile
CID 116862122
1-(4-methylphenyl)-3-piperazin-1-ylpropan-1-one
CID 82064813
1-(4-bromo-3-methylphenyl)-3-piperazin-1-ylpropan-1-one
CID 82264457
5-(3-piperazin-1-ylpropanoyl)-1,3-dihydrobenzimidazol-2-one
CID 96680051
1-(3-chloro-4-fluorophenyl)-3-piperazin-1-ylpropan-1-one
CID 96667810
1-(3-amino-4-methoxyphenyl)-3-piperazin-1-ylpropan-1-one
CID 82064899
1-(2,4-dimethylphenyl)-3-piperazin-1-ylpropan-1-one
CID 82064821
3-(1,4-diazepan-1-yl)-1-(4-methoxyphenyl)propan-1-one
CID 82064884
[4-(1,2-dimethylbenzimidazole-5-carbonyl)piperazin-1-yl]-phenylmethanone
CID 110802064
1-naphthalen-2-yl-5-piperazin-1-ylpentan-1-one
CID 59200501
1-(4-chloro-3-methylphenyl)-4-piperazin-1-ylbutan-1-one
CID 93213561

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dimethylbenzimidazol-5-yl)-3-piperazin-1-ylpropan-1-one?
The IUPAC name of 1-(1,2-dimethylbenzimidazol-5-yl)-3-piperazin-1-ylpropan-1-one (CID 94724130) is 1-(1,2-dimethylbenzimidazol-5-yl)-3-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 1-(1,2-dimethylbenzimidazol-5-yl)-3-piperazin-1-ylpropan-1-one?
The canonical SMILES for 1-(1,2-dimethylbenzimidazol-5-yl)-3-piperazin-1-ylpropan-1-one is Cc1nc2cc(C(=O)CCN3CCNCC3)ccc2n1C.
What is the InChIKey of 1-(1,2-dimethylbenzimidazol-5-yl)-3-piperazin-1-ylpropan-1-one?
The InChIKey is YTIBPPUYRIHBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-12-18-14-11-13(3-4-15(14)19(12)2)16(21)5-8-20-9-6-17-7-10-20/h3-4,11,17H,5-10H2,1-2H3.
What are the key properties of 1-(1,2-dimethylbenzimidazol-5-yl)-3-piperazin-1-ylpropan-1-one?
1-(1,2-dimethylbenzimidazol-5-yl)-3-piperazin-1-ylpropan-1-one has a molecular weight of 286.38 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dimethylbenzimidazol-5-yl)-3-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 94724130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).