1-methyl-3-[3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-oxopropyl]benzimidazol-2-one

C19H24N6O2 — CID 120879868

IUPAC1-methyl-3-[3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-oxopropyl]benzimidazol-2-one
SMILESCn1ccnc1C1CNCCN1C(=O)CCn1c(=O)n(C)c2ccccc21
InChIInChI=1S/C19H24N6O2/c1-22-11-9-21-18(22)16-13-20-8-12-24(16)17(26)7-10-25-15-6-4-3-5-14(15)23(2)19(25)27/h3-6,9,11,16,20H,7-8,10,12-13H2,1-2H3
InChIKeyOAFONLIWPULNNM-UHFFFAOYSA-N
MW368.44 g/mol
LogP0.64
Rot. Bonds4

About 1-methyl-3-[3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-oxopropyl]benzimidazol-2-one

1-methyl-3-[3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-oxopropyl]benzimidazol-2-one (PubChem CID 120879868) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 1-methyl-3-[3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-oxopropyl]benzimidazol-2-one.

Molecular Properties

Compound Name1-methyl-3-[3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-oxopropyl]benzimidazol-2-one
PubChem CID120879868
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC Name1-methyl-3-[3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-oxopropyl]benzimidazol-2-one
SMILESCn1ccnc1C1CNCCN1C(=O)CCn1c(=O)n(C)c2ccccc21
InChIInChI=1S/C19H24N6O2/c1-22-11-9-21-18(22)16-13-20-8-12-24(16)17(26)7-10-25-15-6-4-3-5-14(15)23(2)19(25)27/h3-6,9,11,16,20H,7-8,10,12-13H2,1-2H3
InChIKeyOAFONLIWPULNNM-UHFFFAOYSA-N
XLogP0.64
TPSA77.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-methyl-3-[3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-oxopropyl]benzimidazol-2-one with MolForge

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Related Compounds

1-methyl-3-[3-oxo-3-[2-(1H-pyrazol-4-yl)piperazin-1-yl]propyl]benzimidazol-2-one
CID 166276876
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-phenylsulfanylpropan-1-one
CID 120879518
1-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]quinolin-4-one
CID 120879614
1-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]quinolin-4-one;hydrochloride
CID 120879613
2-methyl-4-[3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-oxopropyl]-1,4-benzoxazin-3-one
CID 120880826
3-[3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-oxopropyl]-1,2,3-benzotriazin-4-one;hydrochloride
CID 120878575
3-(2-methoxyphenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one;hydrochloride
CID 120880881
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-naphthalen-2-ylpropan-1-one
CID 120878290
2-(2-fluorophenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 120879127
4-[3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-oxopropyl]-1,4-benzoxazin-3-one;hydrochloride
CID 120877849
2-(2-methoxyphenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 120878371
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-phenylbutan-1-one
CID 120880922

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-oxopropyl]benzimidazol-2-one?
The IUPAC name of 1-methyl-3-[3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-oxopropyl]benzimidazol-2-one (CID 120879868) is 1-methyl-3-[3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-oxopropyl]benzimidazol-2-one.
What is the SMILES notation for 1-methyl-3-[3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-oxopropyl]benzimidazol-2-one?
The canonical SMILES for 1-methyl-3-[3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-oxopropyl]benzimidazol-2-one is Cn1ccnc1C1CNCCN1C(=O)CCn1c(=O)n(C)c2ccccc21.
What is the InChIKey of 1-methyl-3-[3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-oxopropyl]benzimidazol-2-one?
The InChIKey is OAFONLIWPULNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-22-11-9-21-18(22)16-13-20-8-12-24(16)17(26)7-10-25-15-6-4-3-5-14(15)23(2)19(25)27/h3-6,9,11,16,20H,7-8,10,12-13H2,1-2H3.
What are the key properties of 1-methyl-3-[3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-oxopropyl]benzimidazol-2-one?
1-methyl-3-[3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-oxopropyl]benzimidazol-2-one has a molecular weight of 368.44 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-oxopropyl]benzimidazol-2-one is sourced from PubChem (CID 120879868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).