4-methyl-2-(2-methylpiperidin-2-yl)-1H-benzimidazole

C14H19N3 — CID 113430741

IUPAC4-methyl-2-(2-methylpiperidin-2-yl)-1H-benzimidazole
SMILESCc1cccc2[nH]c(C3(C)CCCCN3)nc12
InChIInChI=1S/C14H19N3/c1-10-6-5-7-11-12(10)17-13(16-11)14(2)8-3-4-9-15-14/h5-7,15H,3-4,8-9H2,1-2H3,(H,16,17)
InChIKeyWTZNSGJPBNLRKF-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.86
Rot. Bonds1

About 4-methyl-2-(2-methylpiperidin-2-yl)-1H-benzimidazole

4-methyl-2-(2-methylpiperidin-2-yl)-1H-benzimidazole (PubChem CID 113430741) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 4-methyl-2-(2-methylpiperidin-2-yl)-1H-benzimidazole.

Molecular Properties

Compound Name4-methyl-2-(2-methylpiperidin-2-yl)-1H-benzimidazole
PubChem CID113430741
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name4-methyl-2-(2-methylpiperidin-2-yl)-1H-benzimidazole
SMILESCc1cccc2[nH]c(C3(C)CCCCN3)nc12
InChIInChI=1S/C14H19N3/c1-10-6-5-7-11-12(10)17-13(16-11)14(2)8-3-4-9-15-14/h5-7,15H,3-4,8-9H2,1-2H3,(H,16,17)
InChIKeyWTZNSGJPBNLRKF-UHFFFAOYSA-N
XLogP2.86
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-methylpiperidin-2-yl)-1H-benzimidazole?
The IUPAC name of 4-methyl-2-(2-methylpiperidin-2-yl)-1H-benzimidazole (CID 113430741) is 4-methyl-2-(2-methylpiperidin-2-yl)-1H-benzimidazole.
What is the SMILES notation for 4-methyl-2-(2-methylpiperidin-2-yl)-1H-benzimidazole?
The canonical SMILES for 4-methyl-2-(2-methylpiperidin-2-yl)-1H-benzimidazole is Cc1cccc2[nH]c(C3(C)CCCCN3)nc12.
What is the InChIKey of 4-methyl-2-(2-methylpiperidin-2-yl)-1H-benzimidazole?
The InChIKey is WTZNSGJPBNLRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-10-6-5-7-11-12(10)17-13(16-11)14(2)8-3-4-9-15-14/h5-7,15H,3-4,8-9H2,1-2H3,(H,16,17).
What are the key properties of 4-methyl-2-(2-methylpiperidin-2-yl)-1H-benzimidazole?
4-methyl-2-(2-methylpiperidin-2-yl)-1H-benzimidazole has a molecular weight of 229.33 g/mol, XLogP of 2.86, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-methylpiperidin-2-yl)-1H-benzimidazole is sourced from PubChem (CID 113430741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).