5-methyl-2-(piperazin-1-ylmethyl)-1-propylbenzimidazole

C16H24N4 — CID 62316185

IUPAC5-methyl-2-(piperazin-1-ylmethyl)-1-propylbenzimidazole
SMILESCCCn1c(CN2CCNCC2)nc2cc(C)ccc21
InChIInChI=1S/C16H24N4/c1-3-8-20-15-5-4-13(2)11-14(15)18-16(20)12-19-9-6-17-7-10-19/h4-5,11,17H,3,6-10,12H2,1-2H3
InChIKeyZEJYKZIOJIYDAM-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.16
Rot. Bonds4

About 5-methyl-2-(piperazin-1-ylmethyl)-1-propylbenzimidazole

5-methyl-2-(piperazin-1-ylmethyl)-1-propylbenzimidazole (PubChem CID 62316185) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 5-methyl-2-(piperazin-1-ylmethyl)-1-propylbenzimidazole.

Molecular Properties

Compound Name5-methyl-2-(piperazin-1-ylmethyl)-1-propylbenzimidazole
PubChem CID62316185
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name5-methyl-2-(piperazin-1-ylmethyl)-1-propylbenzimidazole
SMILESCCCn1c(CN2CCNCC2)nc2cc(C)ccc21
InChIInChI=1S/C16H24N4/c1-3-8-20-15-5-4-13(2)11-14(15)18-16(20)12-19-9-6-17-7-10-19/h4-5,11,17H,3,6-10,12H2,1-2H3
InChIKeyZEJYKZIOJIYDAM-UHFFFAOYSA-N
XLogP2.16
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-(piperazin-1-ylmethyl)-1-propylbenzimidazole
CID 62316362
2-[2-(1,4-diazepan-1-ylmethyl)-5-methylbenzimidazol-1-yl]ethanamine
CID 82310634
2-[5-ethyl-2-(piperazin-1-ylmethyl)benzimidazol-1-yl]ethanol
CID 82311687
2-(chloromethyl)-5-methyl-1-propylbenzimidazole
CID 43660232
2-[5-methyl-2-(morpholin-4-ylmethyl)benzimidazol-1-yl]ethanamine
CID 82310629
3-[5-methyl-2-(piperidin-1-ylmethyl)benzimidazol-1-yl]propan-1-ol
CID 82311837
1-ethyl-2-(piperazin-1-ylmethyl)benzimidazole
CID 62318122
2-[5-ethyl-2-(piperazin-1-ylmethyl)benzimidazol-1-yl]acetonitrile
CID 82311196
2-(1,4-diazepan-1-ylmethyl)-1-ethyl-5-fluorobenzimidazole;dihydrochloride
CID 119907069
4-[(5-methyl-1-propylbenzimidazol-2-yl)methyl]aniline
CID 60784514
5-methoxy-1-(2-methylpropyl)-2-(piperazin-1-ylmethyl)benzimidazole
CID 83967757
2-[(4-methylpiperazin-1-yl)methyl]-1-propylbenzimidazole
CID 2985021

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(piperazin-1-ylmethyl)-1-propylbenzimidazole?
The IUPAC name of 5-methyl-2-(piperazin-1-ylmethyl)-1-propylbenzimidazole (CID 62316185) is 5-methyl-2-(piperazin-1-ylmethyl)-1-propylbenzimidazole.
What is the SMILES notation for 5-methyl-2-(piperazin-1-ylmethyl)-1-propylbenzimidazole?
The canonical SMILES for 5-methyl-2-(piperazin-1-ylmethyl)-1-propylbenzimidazole is CCCn1c(CN2CCNCC2)nc2cc(C)ccc21.
What is the InChIKey of 5-methyl-2-(piperazin-1-ylmethyl)-1-propylbenzimidazole?
The InChIKey is ZEJYKZIOJIYDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-3-8-20-15-5-4-13(2)11-14(15)18-16(20)12-19-9-6-17-7-10-19/h4-5,11,17H,3,6-10,12H2,1-2H3.
What are the key properties of 5-methyl-2-(piperazin-1-ylmethyl)-1-propylbenzimidazole?
5-methyl-2-(piperazin-1-ylmethyl)-1-propylbenzimidazole has a molecular weight of 272.40 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(piperazin-1-ylmethyl)-1-propylbenzimidazole is sourced from PubChem (CID 62316185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).