7-chloro-1-ethyl-2-(3-propylpiperidin-3-yl)benzimidazole

C17H24ClN3 — CID 63133897

IUPAC7-chloro-1-ethyl-2-(3-propylpiperidin-3-yl)benzimidazole
SMILESCCCC1(c2nc3cccc(Cl)c3n2CC)CCCNC1
InChIInChI=1S/C17H24ClN3/c1-3-9-17(10-6-11-19-12-17)16-20-14-8-5-7-13(18)15(14)21(16)4-2/h5,7-8,19H,3-4,6,9-12H2,1-2H3
InChIKeyWLYNNWSRMPEVPZ-UHFFFAOYSA-N
MW305.85 g/mol
LogP4.13
Rot. Bonds4

About 7-chloro-1-ethyl-2-(3-propylpiperidin-3-yl)benzimidazole

7-chloro-1-ethyl-2-(3-propylpiperidin-3-yl)benzimidazole (PubChem CID 63133897) has the molecular formula C17H24ClN3 and a molecular weight of 305.85 g/mol. Its IUPAC name is 7-chloro-1-ethyl-2-(3-propylpiperidin-3-yl)benzimidazole.

Molecular Properties

Compound Name7-chloro-1-ethyl-2-(3-propylpiperidin-3-yl)benzimidazole
PubChem CID63133897
Molecular FormulaC17H24ClN3
Molecular Weight305.85 g/mol
Exact Mass305.17
IUPAC Name7-chloro-1-ethyl-2-(3-propylpiperidin-3-yl)benzimidazole
SMILESCCCC1(c2nc3cccc(Cl)c3n2CC)CCCNC1
InChIInChI=1S/C17H24ClN3/c1-3-9-17(10-6-11-19-12-17)16-20-14-8-5-7-13(18)15(14)21(16)4-2/h5,7-8,19H,3-4,6,9-12H2,1-2H3
InChIKeyWLYNNWSRMPEVPZ-UHFFFAOYSA-N
XLogP4.13
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.85
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-ethyl-2-(3-propylpiperidin-3-yl)benzimidazole?
The IUPAC name of 7-chloro-1-ethyl-2-(3-propylpiperidin-3-yl)benzimidazole (CID 63133897) is 7-chloro-1-ethyl-2-(3-propylpiperidin-3-yl)benzimidazole.
What is the SMILES notation for 7-chloro-1-ethyl-2-(3-propylpiperidin-3-yl)benzimidazole?
The canonical SMILES for 7-chloro-1-ethyl-2-(3-propylpiperidin-3-yl)benzimidazole is CCCC1(c2nc3cccc(Cl)c3n2CC)CCCNC1.
What is the InChIKey of 7-chloro-1-ethyl-2-(3-propylpiperidin-3-yl)benzimidazole?
The InChIKey is WLYNNWSRMPEVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3/c1-3-9-17(10-6-11-19-12-17)16-20-14-8-5-7-13(18)15(14)21(16)4-2/h5,7-8,19H,3-4,6,9-12H2,1-2H3.
What are the key properties of 7-chloro-1-ethyl-2-(3-propylpiperidin-3-yl)benzimidazole?
7-chloro-1-ethyl-2-(3-propylpiperidin-3-yl)benzimidazole has a molecular weight of 305.85 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-ethyl-2-(3-propylpiperidin-3-yl)benzimidazole is sourced from PubChem (CID 63133897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).