5-chloro-1-ethyl-2-(2-methylpiperidin-4-yl)benzimidazole

C15H20ClN3 — CID 106742782

IUPAC5-chloro-1-ethyl-2-(2-methylpiperidin-4-yl)benzimidazole
SMILESCCn1c(C2CCNC(C)C2)nc2cc(Cl)ccc21
InChIInChI=1S/C15H20ClN3/c1-3-19-14-5-4-12(16)9-13(14)18-15(19)11-6-7-17-10(2)8-11/h4-5,9-11,17H,3,6-8H2,1-2H3
InChIKeyKXDWNZAQFGIUOV-UHFFFAOYSA-N
MW277.80 g/mol
LogP3.57
Rot. Bonds2

About 5-chloro-1-ethyl-2-(2-methylpiperidin-4-yl)benzimidazole

5-chloro-1-ethyl-2-(2-methylpiperidin-4-yl)benzimidazole (PubChem CID 106742782) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is 5-chloro-1-ethyl-2-(2-methylpiperidin-4-yl)benzimidazole.

Molecular Properties

Compound Name5-chloro-1-ethyl-2-(2-methylpiperidin-4-yl)benzimidazole
PubChem CID106742782
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC Name5-chloro-1-ethyl-2-(2-methylpiperidin-4-yl)benzimidazole
SMILESCCn1c(C2CCNC(C)C2)nc2cc(Cl)ccc21
InChIInChI=1S/C15H20ClN3/c1-3-19-14-5-4-12(16)9-13(14)18-15(19)11-6-7-17-10(2)8-11/h4-5,9-11,17H,3,6-8H2,1-2H3
InChIKeyKXDWNZAQFGIUOV-UHFFFAOYSA-N
XLogP3.57
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-1-ethyl-2-pyrrolidin-3-ylbenzimidazole
CID 113316602
6-fluoro-2-(2-methylpiperidin-4-yl)-1-propylbenzimidazole
CID 106742811
2-(5-chloro-2-cyclopropylbenzimidazol-1-yl)-N,N-diethylethanamine
CID 46309386
1-ethyl-5-fluoro-2-(3-methylpiperidin-2-yl)benzimidazole
CID 107070471
2-cyclopentyl-1-ethylbenzimidazol-5-amine
CID 82391011
1-ethyl-2-piperidin-4-ylbenzimidazole
CID 20983587
1-ethyl-2-piperidin-4-yl-5-propoxybenzimidazole
CID 82335125
4-fluoro-2-(2-methylpiperidin-4-yl)-1-propylbenzimidazole
CID 106742794
1-ethyl-5-methoxy-2-(3-methylpiperidin-2-yl)benzimidazole
CID 107070534
1-ethyl-5-methyl-2-piperidin-3-ylbenzimidazole
CID 54920145
5-chloro-1-ethyl-2-(2-ethylpyrrolidin-2-yl)benzimidazole
CID 83070865
2-[1-(azetidin-3-yl)ethyl]-5-chloro-1-ethylbenzimidazole
CID 116682105

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-ethyl-2-(2-methylpiperidin-4-yl)benzimidazole?
The IUPAC name of 5-chloro-1-ethyl-2-(2-methylpiperidin-4-yl)benzimidazole (CID 106742782) is 5-chloro-1-ethyl-2-(2-methylpiperidin-4-yl)benzimidazole.
What is the SMILES notation for 5-chloro-1-ethyl-2-(2-methylpiperidin-4-yl)benzimidazole?
The canonical SMILES for 5-chloro-1-ethyl-2-(2-methylpiperidin-4-yl)benzimidazole is CCn1c(C2CCNC(C)C2)nc2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-1-ethyl-2-(2-methylpiperidin-4-yl)benzimidazole?
The InChIKey is KXDWNZAQFGIUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3/c1-3-19-14-5-4-12(16)9-13(14)18-15(19)11-6-7-17-10(2)8-11/h4-5,9-11,17H,3,6-8H2,1-2H3.
What are the key properties of 5-chloro-1-ethyl-2-(2-methylpiperidin-4-yl)benzimidazole?
5-chloro-1-ethyl-2-(2-methylpiperidin-4-yl)benzimidazole has a molecular weight of 277.80 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-ethyl-2-(2-methylpiperidin-4-yl)benzimidazole is sourced from PubChem (CID 106742782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).