3-methyl-6-(piperidin-4-ylmethyl)-1H-benzimidazol-2-one

C14H19N3O — CID 117365590

IUPAC3-methyl-6-(piperidin-4-ylmethyl)-1H-benzimidazol-2-one
SMILESCn1c(=O)[nH]c2cc(CC3CCNCC3)ccc21
InChIInChI=1S/C14H19N3O/c1-17-13-3-2-11(9-12(13)16-14(17)18)8-10-4-6-15-7-5-10/h2-3,9-10,15H,4-8H2,1H3,(H,16,18)
InChIKeyCVZLLINNEGRLJI-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.41
Rot. Bonds2

About 3-methyl-6-(piperidin-4-ylmethyl)-1H-benzimidazol-2-one

3-methyl-6-(piperidin-4-ylmethyl)-1H-benzimidazol-2-one (PubChem CID 117365590) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-methyl-6-(piperidin-4-ylmethyl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-methyl-6-(piperidin-4-ylmethyl)-1H-benzimidazol-2-one
PubChem CID117365590
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name3-methyl-6-(piperidin-4-ylmethyl)-1H-benzimidazol-2-one
SMILESCn1c(=O)[nH]c2cc(CC3CCNCC3)ccc21
InChIInChI=1S/C14H19N3O/c1-17-13-3-2-11(9-12(13)16-14(17)18)8-10-4-6-15-7-5-10/h2-3,9-10,15H,4-8H2,1H3,(H,16,18)
InChIKeyCVZLLINNEGRLJI-UHFFFAOYSA-N
XLogP1.41
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(piperidin-4-ylmethyl)-1H-benzimidazol-2-one?
The IUPAC name of 3-methyl-6-(piperidin-4-ylmethyl)-1H-benzimidazol-2-one (CID 117365590) is 3-methyl-6-(piperidin-4-ylmethyl)-1H-benzimidazol-2-one.
What is the SMILES notation for 3-methyl-6-(piperidin-4-ylmethyl)-1H-benzimidazol-2-one?
The canonical SMILES for 3-methyl-6-(piperidin-4-ylmethyl)-1H-benzimidazol-2-one is Cn1c(=O)[nH]c2cc(CC3CCNCC3)ccc21.
What is the InChIKey of 3-methyl-6-(piperidin-4-ylmethyl)-1H-benzimidazol-2-one?
The InChIKey is CVZLLINNEGRLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-17-13-3-2-11(9-12(13)16-14(17)18)8-10-4-6-15-7-5-10/h2-3,9-10,15H,4-8H2,1H3,(H,16,18).
What are the key properties of 3-methyl-6-(piperidin-4-ylmethyl)-1H-benzimidazol-2-one?
3-methyl-6-(piperidin-4-ylmethyl)-1H-benzimidazol-2-one has a molecular weight of 245.33 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(piperidin-4-ylmethyl)-1H-benzimidazol-2-one is sourced from PubChem (CID 117365590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).