2-(2-methylbenzimidazol-1-yl)-N-(2-methylpiperidin-4-yl)acetamide

C16H22N4O — CID 120598810

IUPAC2-(2-methylbenzimidazol-1-yl)-N-(2-methylpiperidin-4-yl)acetamide
SMILESCc1nc2ccccc2n1CC(=O)NC1CCNC(C)C1
InChIInChI=1S/C16H22N4O/c1-11-9-13(7-8-17-11)19-16(21)10-20-12(2)18-14-5-3-4-6-15(14)20/h3-6,11,13,17H,7-10H2,1-2H3,(H,19,21)
InChIKeyKKUOAZLEMDQYIU-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.60
Rot. Bonds3

About 2-(2-methylbenzimidazol-1-yl)-N-(2-methylpiperidin-4-yl)acetamide

2-(2-methylbenzimidazol-1-yl)-N-(2-methylpiperidin-4-yl)acetamide (PubChem CID 120598810) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-(2-methylbenzimidazol-1-yl)-N-(2-methylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(2-methylbenzimidazol-1-yl)-N-(2-methylpiperidin-4-yl)acetamide
PubChem CID120598810
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-(2-methylbenzimidazol-1-yl)-N-(2-methylpiperidin-4-yl)acetamide
SMILESCc1nc2ccccc2n1CC(=O)NC1CCNC(C)C1
InChIInChI=1S/C16H22N4O/c1-11-9-13(7-8-17-11)19-16(21)10-20-12(2)18-14-5-3-4-6-15(14)20/h3-6,11,13,17H,7-10H2,1-2H3,(H,19,21)
InChIKeyKKUOAZLEMDQYIU-UHFFFAOYSA-N
XLogP1.60
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbenzimidazol-1-yl)-N-(2-methylpiperidin-4-yl)acetamide?
The IUPAC name of 2-(2-methylbenzimidazol-1-yl)-N-(2-methylpiperidin-4-yl)acetamide (CID 120598810) is 2-(2-methylbenzimidazol-1-yl)-N-(2-methylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-(2-methylbenzimidazol-1-yl)-N-(2-methylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-(2-methylbenzimidazol-1-yl)-N-(2-methylpiperidin-4-yl)acetamide is Cc1nc2ccccc2n1CC(=O)NC1CCNC(C)C1.
What is the InChIKey of 2-(2-methylbenzimidazol-1-yl)-N-(2-methylpiperidin-4-yl)acetamide?
The InChIKey is KKUOAZLEMDQYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-11-9-13(7-8-17-11)19-16(21)10-20-12(2)18-14-5-3-4-6-15(14)20/h3-6,11,13,17H,7-10H2,1-2H3,(H,19,21).
What are the key properties of 2-(2-methylbenzimidazol-1-yl)-N-(2-methylpiperidin-4-yl)acetamide?
2-(2-methylbenzimidazol-1-yl)-N-(2-methylpiperidin-4-yl)acetamide has a molecular weight of 286.38 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbenzimidazol-1-yl)-N-(2-methylpiperidin-4-yl)acetamide is sourced from PubChem (CID 120598810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).