5-[(1-methylpiperazin-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one

C13H18N4O — CID 116928064

IUPAC5-[(1-methylpiperazin-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESCN1CCNCC1Cc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C13H18N4O/c1-17-5-4-14-8-10(17)6-9-2-3-11-12(7-9)16-13(18)15-11/h2-3,7,10,14H,4-6,8H2,1H3,(H2,15,16,18)
InChIKeySRBUXIYKKXGCQL-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.30
Rot. Bonds2

About 5-[(1-methylpiperazin-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one

5-[(1-methylpiperazin-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 116928064) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 5-[(1-methylpiperazin-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[(1-methylpiperazin-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID116928064
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name5-[(1-methylpiperazin-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESCN1CCNCC1Cc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C13H18N4O/c1-17-5-4-14-8-10(17)6-9-2-3-11-12(7-9)16-13(18)15-11/h2-3,7,10,14H,4-6,8H2,1H3,(H2,15,16,18)
InChIKeySRBUXIYKKXGCQL-UHFFFAOYSA-N
XLogP0.30
TPSA63.92 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-[(1-methylpiperazin-2-yl)methyl]-1,3-dihydrobenzimidazol-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

(2R)-2-[(3,4-dimethylphenyl)methyl]-1-methylpiperazine
CID 95442733
(2S)-2-[(3,4-dimethylphenyl)methyl]-1-methylpiperazine;dihydrochloride
CID 154574727
6-[(1-methylpiperazin-2-yl)methyl]-1H-benzimidazole
CID 116928065
2-(2,3-dihydro-1H-inden-5-ylmethyl)-1-methylpiperazine
CID 116928006
4-[(1-methylpiperazin-2-yl)methyl]benzoic acid
CID 18440347
1,2-dimethyl-5-[(1-methylpiperazin-2-yl)methyl]indole
CID 116996446
1-methyl-2-[(4-pyrrolidin-3-ylphenyl)methyl]piperazine
CID 116988478
2-[(4-ethoxyphenyl)methyl]-1-methylpiperazine
CID 116928023
5-(2-piperazin-1-ylpropyl)-1,3-dihydrobenzimidazol-2-one
CID 82500602
2-(3,4-dihydro-2H-chromen-6-ylmethyl)-1-methylpiperazine
CID 116928055
2-methyl-6-[(1-methylpiperazin-2-yl)methyl]-1,3-benzoxazole
CID 116928063
5-[4-[(2S)-2-methylpiperazin-1-yl]-4-oxobutyl]-1,3-dihydrobenzimidazol-2-one
CID 124571200

Frequently Asked Questions

What is the IUPAC name of 5-[(1-methylpiperazin-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[(1-methylpiperazin-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one (CID 116928064) is 5-[(1-methylpiperazin-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[(1-methylpiperazin-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[(1-methylpiperazin-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one is CN1CCNCC1Cc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 5-[(1-methylpiperazin-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is SRBUXIYKKXGCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-17-5-4-14-8-10(17)6-9-2-3-11-12(7-9)16-13(18)15-11/h2-3,7,10,14H,4-6,8H2,1H3,(H2,15,16,18).
What are the key properties of 5-[(1-methylpiperazin-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one?
5-[(1-methylpiperazin-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 246.31 g/mol, XLogP of 0.30, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methylpiperazin-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 116928064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).