5,6-dimethyl-2-[1-(4-methylpiperidin-1-yl)ethyl]-1H-benzimidazole

C17H25N3 — CID 82336560

IUPAC5,6-dimethyl-2-[1-(4-methylpiperidin-1-yl)ethyl]-1H-benzimidazole
SMILESCc1cc2nc(C(C)N3CCC(C)CC3)[nH]c2cc1C
InChIInChI=1S/C17H25N3/c1-11-5-7-20(8-6-11)14(4)17-18-15-9-12(2)13(3)10-16(15)19-17/h9-11,14H,5-8H2,1-4H3,(H,18,19)
InChIKeyCPRABZVYWJXYOD-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.97
Rot. Bonds2

About 5,6-dimethyl-2-[1-(4-methylpiperidin-1-yl)ethyl]-1H-benzimidazole

5,6-dimethyl-2-[1-(4-methylpiperidin-1-yl)ethyl]-1H-benzimidazole (PubChem CID 82336560) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 5,6-dimethyl-2-[1-(4-methylpiperidin-1-yl)ethyl]-1H-benzimidazole.

Molecular Properties

Compound Name5,6-dimethyl-2-[1-(4-methylpiperidin-1-yl)ethyl]-1H-benzimidazole
PubChem CID82336560
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name5,6-dimethyl-2-[1-(4-methylpiperidin-1-yl)ethyl]-1H-benzimidazole
SMILESCc1cc2nc(C(C)N3CCC(C)CC3)[nH]c2cc1C
InChIInChI=1S/C17H25N3/c1-11-5-7-20(8-6-11)14(4)17-18-15-9-12(2)13(3)10-16(15)19-17/h9-11,14H,5-8H2,1-4H3,(H,18,19)
InChIKeyCPRABZVYWJXYOD-UHFFFAOYSA-N
XLogP3.97
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-[1-(4-methylpiperidin-1-yl)ethyl]-1H-benzimidazole?
The IUPAC name of 5,6-dimethyl-2-[1-(4-methylpiperidin-1-yl)ethyl]-1H-benzimidazole (CID 82336560) is 5,6-dimethyl-2-[1-(4-methylpiperidin-1-yl)ethyl]-1H-benzimidazole.
What is the SMILES notation for 5,6-dimethyl-2-[1-(4-methylpiperidin-1-yl)ethyl]-1H-benzimidazole?
The canonical SMILES for 5,6-dimethyl-2-[1-(4-methylpiperidin-1-yl)ethyl]-1H-benzimidazole is Cc1cc2nc(C(C)N3CCC(C)CC3)[nH]c2cc1C.
What is the InChIKey of 5,6-dimethyl-2-[1-(4-methylpiperidin-1-yl)ethyl]-1H-benzimidazole?
The InChIKey is CPRABZVYWJXYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-11-5-7-20(8-6-11)14(4)17-18-15-9-12(2)13(3)10-16(15)19-17/h9-11,14H,5-8H2,1-4H3,(H,18,19).
What are the key properties of 5,6-dimethyl-2-[1-(4-methylpiperidin-1-yl)ethyl]-1H-benzimidazole?
5,6-dimethyl-2-[1-(4-methylpiperidin-1-yl)ethyl]-1H-benzimidazole has a molecular weight of 271.41 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-[1-(4-methylpiperidin-1-yl)ethyl]-1H-benzimidazole is sourced from PubChem (CID 82336560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).