5-methyl-1-[2-(1-methylpiperidin-4-yl)ethyl]benzimidazol-2-amine

C16H24N4 — CID 114516247

IUPAC5-methyl-1-[2-(1-methylpiperidin-4-yl)ethyl]benzimidazol-2-amine
SMILESCc1ccc2c(c1)nc(N)n2CCC1CCN(C)CC1
InChIInChI=1S/C16H24N4/c1-12-3-4-15-14(11-12)18-16(17)20(15)10-7-13-5-8-19(2)9-6-13/h3-4,11,13H,5-10H2,1-2H3,(H2,17,18)
InChIKeyKJIWBROFKWORJA-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.66
Rot. Bonds3

About 5-methyl-1-[2-(1-methylpiperidin-4-yl)ethyl]benzimidazol-2-amine

5-methyl-1-[2-(1-methylpiperidin-4-yl)ethyl]benzimidazol-2-amine (PubChem CID 114516247) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 5-methyl-1-[2-(1-methylpiperidin-4-yl)ethyl]benzimidazol-2-amine.

Molecular Properties

Compound Name5-methyl-1-[2-(1-methylpiperidin-4-yl)ethyl]benzimidazol-2-amine
PubChem CID114516247
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name5-methyl-1-[2-(1-methylpiperidin-4-yl)ethyl]benzimidazol-2-amine
SMILESCc1ccc2c(c1)nc(N)n2CCC1CCN(C)CC1
InChIInChI=1S/C16H24N4/c1-12-3-4-15-14(11-12)18-16(17)20(15)10-7-13-5-8-19(2)9-6-13/h3-4,11,13H,5-10H2,1-2H3,(H2,17,18)
InChIKeyKJIWBROFKWORJA-UHFFFAOYSA-N
XLogP2.66
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[2-(1-methylpiperidin-4-yl)ethyl]benzimidazol-2-amine?
The IUPAC name of 5-methyl-1-[2-(1-methylpiperidin-4-yl)ethyl]benzimidazol-2-amine (CID 114516247) is 5-methyl-1-[2-(1-methylpiperidin-4-yl)ethyl]benzimidazol-2-amine.
What is the SMILES notation for 5-methyl-1-[2-(1-methylpiperidin-4-yl)ethyl]benzimidazol-2-amine?
The canonical SMILES for 5-methyl-1-[2-(1-methylpiperidin-4-yl)ethyl]benzimidazol-2-amine is Cc1ccc2c(c1)nc(N)n2CCC1CCN(C)CC1.
What is the InChIKey of 5-methyl-1-[2-(1-methylpiperidin-4-yl)ethyl]benzimidazol-2-amine?
The InChIKey is KJIWBROFKWORJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-12-3-4-15-14(11-12)18-16(17)20(15)10-7-13-5-8-19(2)9-6-13/h3-4,11,13H,5-10H2,1-2H3,(H2,17,18).
What are the key properties of 5-methyl-1-[2-(1-methylpiperidin-4-yl)ethyl]benzimidazol-2-amine?
5-methyl-1-[2-(1-methylpiperidin-4-yl)ethyl]benzimidazol-2-amine has a molecular weight of 272.40 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[2-(1-methylpiperidin-4-yl)ethyl]benzimidazol-2-amine is sourced from PubChem (CID 114516247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).