3-methyl-1-piperazin-2-yl-4-piperidin-4-ylbenzimidazol-2-one

C17H25N5O — CID 175089571

IUPAC3-methyl-1-piperazin-2-yl-4-piperidin-4-ylbenzimidazol-2-one
SMILESCn1c(=O)n(C2CNCCN2)c2cccc(C3CCNCC3)c21
InChIInChI=1S/C17H25N5O/c1-21-16-13(12-5-7-18-8-6-12)3-2-4-14(16)22(17(21)23)15-11-19-9-10-20-15/h2-4,12,15,18-20H,5-11H2,1H3
InChIKeyAECPGFHKDFUZPV-UHFFFAOYSA-N
MW315.42 g/mol
LogP0.50
Rot. Bonds2

About 3-methyl-1-piperazin-2-yl-4-piperidin-4-ylbenzimidazol-2-one

3-methyl-1-piperazin-2-yl-4-piperidin-4-ylbenzimidazol-2-one (PubChem CID 175089571) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is 3-methyl-1-piperazin-2-yl-4-piperidin-4-ylbenzimidazol-2-one.

Molecular Properties

Compound Name3-methyl-1-piperazin-2-yl-4-piperidin-4-ylbenzimidazol-2-one
PubChem CID175089571
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name3-methyl-1-piperazin-2-yl-4-piperidin-4-ylbenzimidazol-2-one
SMILESCn1c(=O)n(C2CNCCN2)c2cccc(C3CCNCC3)c21
InChIInChI=1S/C17H25N5O/c1-21-16-13(12-5-7-18-8-6-12)3-2-4-14(16)22(17(21)23)15-11-19-9-10-20-15/h2-4,12,15,18-20H,5-11H2,1H3
InChIKeyAECPGFHKDFUZPV-UHFFFAOYSA-N
XLogP0.50
TPSA63.02 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-methyl-1-piperazin-2-yl-4-piperidin-4-ylbenzimidazol-2-one 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

1-methyl-3-[3-methyl-2-oxo-4-[1-(piperidin-4-ylmethyl)piperidin-4-yl]benzimidazol-1-yl]piperidine-2,6-dione
CID 170320387
3-[4-[(3R,4R)-3-fluoropiperidin-4-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 169121079
ethane;3-(4-fluoro-3-methyl-2-oxo-5-piperidin-4-ylbenzimidazol-1-yl)piperidine-2,6-dione
CID 170952758
1-methyl-3-[(3S)-pyrrolidin-3-yl]benzimidazol-2-one
CID 162422973
3-[3-methyl-2-oxo-4-(piperidin-4-ylmethyl)benzimidazol-1-yl]piperidine-2,6-dione
CID 146599691
3-methyl-4-piperazin-1-yl-1-piperidin-3-ylbenzimidazol-2-one
CID 171475046
3-[3-methyl-2-oxo-4-(1-propylpiperidin-4-yl)benzimidazol-1-yl]piperidine-2,6-dione
CID 175084296
3-(4-chloro-3-methyl-2-oxo-5-piperidin-4-ylbenzimidazol-1-yl)piperidine-2,6-dione;methylphosphane;propane
CID 166549570
3-[3-methyl-2-oxo-4-[[4-(piperidin-4-ylmethyl)piperidin-1-yl]methyl]benzimidazol-1-yl]piperidine-2,6-dione;hydrochloride
CID 175814867
N-methylmethanamine;2-[3-methyl-2-oxo-4-[1-(piperidin-4-ylmethyl)piperidin-4-yl]benzimidazol-1-yl]pentanedial
CID 170572527
5-chloro-1-methyl-3-pyrrolidin-3-ylquinazoline-2,4-dione
CID 117262113
1,3-dimethyl-7-piperidin-4-ylindole-2-carboxylic acid
CID 151062771

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-piperazin-2-yl-4-piperidin-4-ylbenzimidazol-2-one?
The IUPAC name of 3-methyl-1-piperazin-2-yl-4-piperidin-4-ylbenzimidazol-2-one (CID 175089571) is 3-methyl-1-piperazin-2-yl-4-piperidin-4-ylbenzimidazol-2-one.
What is the SMILES notation for 3-methyl-1-piperazin-2-yl-4-piperidin-4-ylbenzimidazol-2-one?
The canonical SMILES for 3-methyl-1-piperazin-2-yl-4-piperidin-4-ylbenzimidazol-2-one is Cn1c(=O)n(C2CNCCN2)c2cccc(C3CCNCC3)c21.
What is the InChIKey of 3-methyl-1-piperazin-2-yl-4-piperidin-4-ylbenzimidazol-2-one?
The InChIKey is AECPGFHKDFUZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-21-16-13(12-5-7-18-8-6-12)3-2-4-14(16)22(17(21)23)15-11-19-9-10-20-15/h2-4,12,15,18-20H,5-11H2,1H3.
What are the key properties of 3-methyl-1-piperazin-2-yl-4-piperidin-4-ylbenzimidazol-2-one?
3-methyl-1-piperazin-2-yl-4-piperidin-4-ylbenzimidazol-2-one has a molecular weight of 315.42 g/mol, XLogP of 0.50, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-piperazin-2-yl-4-piperidin-4-ylbenzimidazol-2-one is sourced from PubChem (CID 175089571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).