4-methyl-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrobromide

C13H18BrN3O — CID 22380690

IUPAC4-methyl-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrobromide
SMILESBr.Cc1cccc2[nH]c(=O)n(C3CCNCC3)c12
InChIInChI=1S/C13H17N3O.BrH/c1-9-3-2-4-11-12(9)16(13(17)15-11)10-5-7-14-8-6-10;/h2-4,10,14H,5-8H2,1H3,(H,15,17);1H
InChIKeyDCDFJDGBYDLXIU-UHFFFAOYSA-N
MW312.21 g/mol
LogP2.14
Rot. Bonds1

About 4-methyl-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrobromide

4-methyl-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrobromide (PubChem CID 22380690) has the molecular formula C13H18BrN3O and a molecular weight of 312.21 g/mol. Its IUPAC name is 4-methyl-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrobromide.

Molecular Properties

Compound Name4-methyl-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrobromide
PubChem CID22380690
Molecular FormulaC13H18BrN3O
Molecular Weight312.21 g/mol
Exact Mass311.06
IUPAC Name4-methyl-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrobromide
SMILESBr.Cc1cccc2[nH]c(=O)n(C3CCNCC3)c12
InChIInChI=1S/C13H17N3O.BrH/c1-9-3-2-4-11-12(9)16(13(17)15-11)10-5-7-14-8-6-10;/h2-4,10,14H,5-8H2,1H3,(H,15,17);1H
InChIKeyDCDFJDGBYDLXIU-UHFFFAOYSA-N
XLogP2.14
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrobromide?
The IUPAC name of 4-methyl-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrobromide (CID 22380690) is 4-methyl-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrobromide.
What is the SMILES notation for 4-methyl-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrobromide?
The canonical SMILES for 4-methyl-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrobromide is Br.Cc1cccc2[nH]c(=O)n(C3CCNCC3)c12.
What is the InChIKey of 4-methyl-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrobromide?
The InChIKey is DCDFJDGBYDLXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O.BrH/c1-9-3-2-4-11-12(9)16(13(17)15-11)10-5-7-14-8-6-10;/h2-4,10,14H,5-8H2,1H3,(H,15,17);1H.
What are the key properties of 4-methyl-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrobromide?
4-methyl-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrobromide has a molecular weight of 312.21 g/mol, XLogP of 2.14, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrobromide is sourced from PubChem (CID 22380690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).