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

C15H21ClN4 — CID 62316362

IUPAC5-chloro-2-(piperazin-1-ylmethyl)-1-propylbenzimidazole
SMILESCCCn1c(CN2CCNCC2)nc2cc(Cl)ccc21
InChIInChI=1S/C15H21ClN4/c1-2-7-20-14-4-3-12(16)10-13(14)18-15(20)11-19-8-5-17-6-9-19/h3-4,10,17H,2,5-9,11H2,1H3
InChIKeyPXRBQGOFJVOIMU-UHFFFAOYSA-N
MW292.81 g/mol
LogP2.50
Rot. Bonds4

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

5-chloro-2-(piperazin-1-ylmethyl)-1-propylbenzimidazole (PubChem CID 62316362) has the molecular formula C15H21ClN4 and a molecular weight of 292.81 g/mol. Its IUPAC name is 5-chloro-2-(piperazin-1-ylmethyl)-1-propylbenzimidazole.

Molecular Properties

Compound Name5-chloro-2-(piperazin-1-ylmethyl)-1-propylbenzimidazole
PubChem CID62316362
Molecular FormulaC15H21ClN4
Molecular Weight292.81 g/mol
Exact Mass292.15
IUPAC Name5-chloro-2-(piperazin-1-ylmethyl)-1-propylbenzimidazole
SMILESCCCn1c(CN2CCNCC2)nc2cc(Cl)ccc21
InChIInChI=1S/C15H21ClN4/c1-2-7-20-14-4-3-12(16)10-13(14)18-15(20)11-19-8-5-17-6-9-19/h3-4,10,17H,2,5-9,11H2,1H3
InChIKeyPXRBQGOFJVOIMU-UHFFFAOYSA-N
XLogP2.50
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-2-(piperazin-1-ylmethyl)-1-propylbenzimidazole
CID 62316185
5-chloro-2-(piperidin-4-ylmethyl)-1-propylbenzimidazole
CID 79615143
5-chloro-2-ethyl-1-propylbenzimidazole
CID 46310723
2-[5-ethyl-2-(piperazin-1-ylmethyl)benzimidazol-1-yl]ethanol
CID 82311687
2-[2-(1,4-diazepan-1-ylmethyl)-5-methylbenzimidazol-1-yl]ethanamine
CID 82310634
3-[5-chloro-2-(pyrrolidin-1-ylmethyl)benzimidazol-1-yl]propan-1-ol
CID 82311826
5-chloro-1-propyl-2-(pyrrolidin-2-ylmethyl)benzimidazole
CID 61372509
5-chloro-2-(2-piperidin-2-ylethyl)-1-propylbenzimidazole
CID 62217546
2-[5-ethyl-2-(piperazin-1-ylmethyl)benzimidazol-1-yl]acetonitrile
CID 82311196
5-chloro-2-methyl-1-propylbenzimidazole
CID 46310722
1-ethyl-2-(piperazin-1-ylmethyl)benzimidazole
CID 62318122
2-(1,4-diazepan-1-ylmethyl)-1-ethyl-5-fluorobenzimidazole;dihydrochloride
CID 119907069

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(piperazin-1-ylmethyl)-1-propylbenzimidazole?
The IUPAC name of 5-chloro-2-(piperazin-1-ylmethyl)-1-propylbenzimidazole (CID 62316362) is 5-chloro-2-(piperazin-1-ylmethyl)-1-propylbenzimidazole.
What is the SMILES notation for 5-chloro-2-(piperazin-1-ylmethyl)-1-propylbenzimidazole?
The canonical SMILES for 5-chloro-2-(piperazin-1-ylmethyl)-1-propylbenzimidazole is CCCn1c(CN2CCNCC2)nc2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-2-(piperazin-1-ylmethyl)-1-propylbenzimidazole?
The InChIKey is PXRBQGOFJVOIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4/c1-2-7-20-14-4-3-12(16)10-13(14)18-15(20)11-19-8-5-17-6-9-19/h3-4,10,17H,2,5-9,11H2,1H3.
What are the key properties of 5-chloro-2-(piperazin-1-ylmethyl)-1-propylbenzimidazole?
5-chloro-2-(piperazin-1-ylmethyl)-1-propylbenzimidazole has a molecular weight of 292.81 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(piperazin-1-ylmethyl)-1-propylbenzimidazole is sourced from PubChem (CID 62316362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).