5-chloro-1-methyl-2-(piperidin-4-yloxymethyl)benzimidazole

C14H18ClN3O — CID 55251116

IUPAC5-chloro-1-methyl-2-(piperidin-4-yloxymethyl)benzimidazole
SMILESCn1c(COC2CCNCC2)nc2cc(Cl)ccc21
InChIInChI=1S/C14H18ClN3O/c1-18-13-3-2-10(15)8-12(13)17-14(18)9-19-11-4-6-16-7-5-11/h2-3,8,11,16H,4-7,9H2,1H3
InChIKeyBWSODZZWNRNBSE-UHFFFAOYSA-N
MW279.77 g/mol
LogP2.50
Rot. Bonds3

About 5-chloro-1-methyl-2-(piperidin-4-yloxymethyl)benzimidazole

5-chloro-1-methyl-2-(piperidin-4-yloxymethyl)benzimidazole (PubChem CID 55251116) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is 5-chloro-1-methyl-2-(piperidin-4-yloxymethyl)benzimidazole.

Molecular Properties

Compound Name5-chloro-1-methyl-2-(piperidin-4-yloxymethyl)benzimidazole
PubChem CID55251116
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name5-chloro-1-methyl-2-(piperidin-4-yloxymethyl)benzimidazole
SMILESCn1c(COC2CCNCC2)nc2cc(Cl)ccc21
InChIInChI=1S/C14H18ClN3O/c1-18-13-3-2-10(15)8-12(13)17-14(18)9-19-11-4-6-16-7-5-11/h2-3,8,11,16H,4-7,9H2,1H3
InChIKeyBWSODZZWNRNBSE-UHFFFAOYSA-N
XLogP2.50
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-2-(piperidin-4-yloxymethyl)benzimidazole?
The IUPAC name of 5-chloro-1-methyl-2-(piperidin-4-yloxymethyl)benzimidazole (CID 55251116) is 5-chloro-1-methyl-2-(piperidin-4-yloxymethyl)benzimidazole.
What is the SMILES notation for 5-chloro-1-methyl-2-(piperidin-4-yloxymethyl)benzimidazole?
The canonical SMILES for 5-chloro-1-methyl-2-(piperidin-4-yloxymethyl)benzimidazole is Cn1c(COC2CCNCC2)nc2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-1-methyl-2-(piperidin-4-yloxymethyl)benzimidazole?
The InChIKey is BWSODZZWNRNBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c1-18-13-3-2-10(15)8-12(13)17-14(18)9-19-11-4-6-16-7-5-11/h2-3,8,11,16H,4-7,9H2,1H3.
What are the key properties of 5-chloro-1-methyl-2-(piperidin-4-yloxymethyl)benzimidazole?
5-chloro-1-methyl-2-(piperidin-4-yloxymethyl)benzimidazole has a molecular weight of 279.77 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methyl-2-(piperidin-4-yloxymethyl)benzimidazole is sourced from PubChem (CID 55251116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).