5-chloro-2-(2-piperidin-2-ylethyl)-1-propylbenzimidazole

C17H24ClN3 — CID 62217546

IUPAC5-chloro-2-(2-piperidin-2-ylethyl)-1-propylbenzimidazole
SMILESCCCn1c(CCC2CCCCN2)nc2cc(Cl)ccc21
InChIInChI=1S/C17H24ClN3/c1-2-11-21-16-8-6-13(18)12-15(16)20-17(21)9-7-14-5-3-4-10-19-14/h6,8,12,14,19H,2-5,7,9-11H2,1H3
InChIKeyUFSFPQKHUAGZFB-UHFFFAOYSA-N
MW305.85 g/mol
LogP4.17
Rot. Bonds5

About 5-chloro-2-(2-piperidin-2-ylethyl)-1-propylbenzimidazole

5-chloro-2-(2-piperidin-2-ylethyl)-1-propylbenzimidazole (PubChem CID 62217546) has the molecular formula C17H24ClN3 and a molecular weight of 305.85 g/mol. Its IUPAC name is 5-chloro-2-(2-piperidin-2-ylethyl)-1-propylbenzimidazole.

Molecular Properties

Compound Name5-chloro-2-(2-piperidin-2-ylethyl)-1-propylbenzimidazole
PubChem CID62217546
Molecular FormulaC17H24ClN3
Molecular Weight305.85 g/mol
Exact Mass305.17
IUPAC Name5-chloro-2-(2-piperidin-2-ylethyl)-1-propylbenzimidazole
SMILESCCCn1c(CCC2CCCCN2)nc2cc(Cl)ccc21
InChIInChI=1S/C17H24ClN3/c1-2-11-21-16-8-6-13(18)12-15(16)20-17(21)9-7-14-5-3-4-10-19-14/h6,8,12,14,19H,2-5,7,9-11H2,1H3
InChIKeyUFSFPQKHUAGZFB-UHFFFAOYSA-N
XLogP4.17
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.85
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-1-methyl-2-(2-piperidin-2-ylethyl)benzimidazole
CID 62217192
5-chloro-1-propyl-2-(pyrrolidin-2-ylmethyl)benzimidazole
CID 61372509
2-(2-piperidin-2-ylethyl)-1-propylbenzimidazole
CID 62218069
6-chloro-1-methyl-2-(2-piperidin-2-ylethyl)benzimidazole
CID 115472334
5-bromo-1-ethyl-2-(2-piperidin-2-ylethyl)benzimidazole
CID 62218072
5-chloro-2-(piperidin-4-ylmethyl)-1-propylbenzimidazole
CID 79615143
5-chloro-2-ethyl-1-propylbenzimidazole
CID 46310723
5-chloro-2-(piperazin-1-ylmethyl)-1-propylbenzimidazole
CID 62316362
2-ethyl-5,6-difluoro-1-(2-piperidin-2-ylethyl)benzimidazole
CID 82149978
5-chloro-2-methyl-1-propylbenzimidazole
CID 46310722
2-propyl-1-(3-pyrrolidin-2-ylpropyl)benzimidazole
CID 115970770
[1-[(5-chloro-1-propylbenzimidazol-2-yl)methyl]cyclobutyl]methanamine
CID 81162135

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-piperidin-2-ylethyl)-1-propylbenzimidazole?
The IUPAC name of 5-chloro-2-(2-piperidin-2-ylethyl)-1-propylbenzimidazole (CID 62217546) is 5-chloro-2-(2-piperidin-2-ylethyl)-1-propylbenzimidazole.
What is the SMILES notation for 5-chloro-2-(2-piperidin-2-ylethyl)-1-propylbenzimidazole?
The canonical SMILES for 5-chloro-2-(2-piperidin-2-ylethyl)-1-propylbenzimidazole is CCCn1c(CCC2CCCCN2)nc2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-2-(2-piperidin-2-ylethyl)-1-propylbenzimidazole?
The InChIKey is UFSFPQKHUAGZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3/c1-2-11-21-16-8-6-13(18)12-15(16)20-17(21)9-7-14-5-3-4-10-19-14/h6,8,12,14,19H,2-5,7,9-11H2,1H3.
What are the key properties of 5-chloro-2-(2-piperidin-2-ylethyl)-1-propylbenzimidazole?
5-chloro-2-(2-piperidin-2-ylethyl)-1-propylbenzimidazole has a molecular weight of 305.85 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-piperidin-2-ylethyl)-1-propylbenzimidazole is sourced from PubChem (CID 62217546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).