5-methyl-2-(2-methylpiperidin-2-yl)-1-propylbenzimidazole

C17H25N3 — CID 104595944

IUPAC5-methyl-2-(2-methylpiperidin-2-yl)-1-propylbenzimidazole
SMILESCCCn1c(C2(C)CCCCN2)nc2cc(C)ccc21
InChIInChI=1S/C17H25N3/c1-4-11-20-15-8-7-13(2)12-14(15)19-16(20)17(3)9-5-6-10-18-17/h7-8,12,18H,4-6,9-11H2,1-3H3
InChIKeyDCQQOADEWSEDMY-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.74
Rot. Bonds3

About 5-methyl-2-(2-methylpiperidin-2-yl)-1-propylbenzimidazole

5-methyl-2-(2-methylpiperidin-2-yl)-1-propylbenzimidazole (PubChem CID 104595944) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 5-methyl-2-(2-methylpiperidin-2-yl)-1-propylbenzimidazole.

Molecular Properties

Compound Name5-methyl-2-(2-methylpiperidin-2-yl)-1-propylbenzimidazole
PubChem CID104595944
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name5-methyl-2-(2-methylpiperidin-2-yl)-1-propylbenzimidazole
SMILESCCCn1c(C2(C)CCCCN2)nc2cc(C)ccc21
InChIInChI=1S/C17H25N3/c1-4-11-20-15-8-7-13(2)12-14(15)19-16(20)17(3)9-5-6-10-18-17/h7-8,12,18H,4-6,9-11H2,1-3H3
InChIKeyDCQQOADEWSEDMY-UHFFFAOYSA-N
XLogP3.74
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(2-methylpiperidin-2-yl)-1-propylbenzimidazole?
The IUPAC name of 5-methyl-2-(2-methylpiperidin-2-yl)-1-propylbenzimidazole (CID 104595944) is 5-methyl-2-(2-methylpiperidin-2-yl)-1-propylbenzimidazole.
What is the SMILES notation for 5-methyl-2-(2-methylpiperidin-2-yl)-1-propylbenzimidazole?
The canonical SMILES for 5-methyl-2-(2-methylpiperidin-2-yl)-1-propylbenzimidazole is CCCn1c(C2(C)CCCCN2)nc2cc(C)ccc21.
What is the InChIKey of 5-methyl-2-(2-methylpiperidin-2-yl)-1-propylbenzimidazole?
The InChIKey is DCQQOADEWSEDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-4-11-20-15-8-7-13(2)12-14(15)19-16(20)17(3)9-5-6-10-18-17/h7-8,12,18H,4-6,9-11H2,1-3H3.
What are the key properties of 5-methyl-2-(2-methylpiperidin-2-yl)-1-propylbenzimidazole?
5-methyl-2-(2-methylpiperidin-2-yl)-1-propylbenzimidazole has a molecular weight of 271.41 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(2-methylpiperidin-2-yl)-1-propylbenzimidazole is sourced from PubChem (CID 104595944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).