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

C12H16BrN3O — CID 139765668

IUPAC3-piperidin-4-yl-1H-benzimidazol-2-one;hydrobromide
SMILESBr.O=c1[nH]c2ccccc2n1C1CCNCC1
InChIInChI=1S/C12H15N3O.BrH/c16-12-14-10-3-1-2-4-11(10)15(12)9-5-7-13-8-6-9;/h1-4,9,13H,5-8H2,(H,14,16);1H
InChIKeyPUWVWKOIZMERIK-UHFFFAOYSA-N
MW298.18 g/mol
LogP1.83
Rot. Bonds1

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

3-piperidin-4-yl-1H-benzimidazol-2-one;hydrobromide (PubChem CID 139765668) has the molecular formula C12H16BrN3O and a molecular weight of 298.18 g/mol. Its IUPAC name is 3-piperidin-4-yl-1H-benzimidazol-2-one;hydrobromide.

Molecular Properties

Compound Name3-piperidin-4-yl-1H-benzimidazol-2-one;hydrobromide
PubChem CID139765668
Molecular FormulaC12H16BrN3O
Molecular Weight298.18 g/mol
Exact Mass297.05
IUPAC Name3-piperidin-4-yl-1H-benzimidazol-2-one;hydrobromide
SMILESBr.O=c1[nH]c2ccccc2n1C1CCNCC1
InChIInChI=1S/C12H15N3O.BrH/c16-12-14-10-3-1-2-4-11(10)15(12)9-5-7-13-8-6-9;/h1-4,9,13H,5-8H2,(H,14,16);1H
InChIKeyPUWVWKOIZMERIK-UHFFFAOYSA-N
XLogP1.83
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-piperidin-4-yl-1H-benzimidazol-2-one;hydrobromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-hydroxycyclohexyl)-1H-benzimidazol-2-one
CID 70115038
3-(4-aminocyclohexyl)-1H-benzimidazol-2-one
CID 23092402
1-piperidin-4-yl-3H-imidazo[4,5-c]pyridin-2-one;hydrobromide
CID 122236400
6-fluoro-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrobromide
CID 22380614
6-chloro-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrobromide
CID 70537571
3-[1-(3-piperidin-4-ylpropyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968501
3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;hydrochloride
CID 70537515
6-hydroxy-3-piperidin-4-yl-1H-benzimidazol-2-one
CID 83415288
4-methyl-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrobromide
CID 22380690
4-hydroxy-3-piperidin-4-yl-1H-benzimidazol-2-one
CID 84796017
3-(3,3,4,5,5-pentadeuteriopiperidin-4-yl)-1H-benzimidazol-2-one
CID 162642414
5-methoxy-3-piperidin-4-yl-1H-benzimidazol-2-one
CID 22928792

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yl-1H-benzimidazol-2-one;hydrobromide?
The IUPAC name of 3-piperidin-4-yl-1H-benzimidazol-2-one;hydrobromide (CID 139765668) is 3-piperidin-4-yl-1H-benzimidazol-2-one;hydrobromide.
What is the SMILES notation for 3-piperidin-4-yl-1H-benzimidazol-2-one;hydrobromide?
The canonical SMILES for 3-piperidin-4-yl-1H-benzimidazol-2-one;hydrobromide is Br.O=c1[nH]c2ccccc2n1C1CCNCC1.
What is the InChIKey of 3-piperidin-4-yl-1H-benzimidazol-2-one;hydrobromide?
The InChIKey is PUWVWKOIZMERIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O.BrH/c16-12-14-10-3-1-2-4-11(10)15(12)9-5-7-13-8-6-9;/h1-4,9,13H,5-8H2,(H,14,16);1H.
What are the key properties of 3-piperidin-4-yl-1H-benzimidazol-2-one;hydrobromide?
3-piperidin-4-yl-1H-benzimidazol-2-one;hydrobromide has a molecular weight of 298.18 g/mol, XLogP of 1.83, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yl-1H-benzimidazol-2-one;hydrobromide is sourced from PubChem (CID 139765668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).