2-(1-methylbenzimidazol-2-yl)-N'-[2-(2-oxoquinoxalin-1-yl)acetyl]acetohydrazide

C20H18N6O3 — CID 18284100

IUPAC2-(1-methylbenzimidazol-2-yl)-N'-[2-(2-oxoquinoxalin-1-yl)acetyl]acetohydrazide
SMILESCn1c(CC(=O)NNC(=O)Cn2c(=O)cnc3ccccc32)nc2ccccc21
InChIInChI=1S/C20H18N6O3/c1-25-15-8-4-3-7-14(15)22-17(25)10-18(27)23-24-19(28)12-26-16-9-5-2-6-13(16)21-11-20(26)29/h2-9,11H,10,12H2,1H3,(H,23,27)(H,24,28)
InChIKeyKKLZNOUUHLRXSY-UHFFFAOYSA-N
MW390.40 g/mol
LogP0.67
Rot. Bonds4

About 2-(1-methylbenzimidazol-2-yl)-N'-[2-(2-oxoquinoxalin-1-yl)acetyl]acetohydrazide

2-(1-methylbenzimidazol-2-yl)-N'-[2-(2-oxoquinoxalin-1-yl)acetyl]acetohydrazide (PubChem CID 18284100) has the molecular formula C20H18N6O3 and a molecular weight of 390.40 g/mol. Its IUPAC name is 2-(1-methylbenzimidazol-2-yl)-N'-[2-(2-oxoquinoxalin-1-yl)acetyl]acetohydrazide.

Molecular Properties

Compound Name2-(1-methylbenzimidazol-2-yl)-N'-[2-(2-oxoquinoxalin-1-yl)acetyl]acetohydrazide
PubChem CID18284100
Molecular FormulaC20H18N6O3
Molecular Weight390.40 g/mol
Exact Mass390.14
IUPAC Name2-(1-methylbenzimidazol-2-yl)-N'-[2-(2-oxoquinoxalin-1-yl)acetyl]acetohydrazide
SMILESCn1c(CC(=O)NNC(=O)Cn2c(=O)cnc3ccccc32)nc2ccccc21
InChIInChI=1S/C20H18N6O3/c1-25-15-8-4-3-7-14(15)22-17(25)10-18(27)23-24-19(28)12-26-16-9-5-2-6-13(16)21-11-20(26)29/h2-9,11H,10,12H2,1H3,(H,23,27)(H,24,28)
InChIKeyKKLZNOUUHLRXSY-UHFFFAOYSA-N
XLogP0.67
TPSA110.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-fluorophenyl)-N'-[2-(2-oxoquinoxalin-1-yl)acetyl]acetohydrazide
CID 31362779
2-(2-oxoquinoxalin-1-yl)-N-(1-propylbenzimidazol-2-yl)acetamide
CID 16585553
2-(2-oxoquinoxalin-1-yl)-N-[4-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]phenyl]acetamide
CID 166181883
2-(2-methoxyphenyl)-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]acetohydrazide
CID 18158832
2-(2-oxoquinoxalin-1-yl)-N-phenylacetamide
CID 4805436
4-chloro-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]benzohydrazide
CID 3603733
1-benzyl-3-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]thiourea
CID 18271624
3-(dimethylamino)-N'-[2-(2-oxoquinoxalin-1-yl)acetyl]benzohydrazide
CID 26262559
2-(2-oxoquinoxalin-1-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 8023093
2,4-difluoro-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]benzohydrazide
CID 4787678
3-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]propanehydrazide
CID 51516166
2-(2-oxoquinoxalin-1-yl)-N-pentylacetamide
CID 31482684

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylbenzimidazol-2-yl)-N'-[2-(2-oxoquinoxalin-1-yl)acetyl]acetohydrazide?
The IUPAC name of 2-(1-methylbenzimidazol-2-yl)-N'-[2-(2-oxoquinoxalin-1-yl)acetyl]acetohydrazide (CID 18284100) is 2-(1-methylbenzimidazol-2-yl)-N'-[2-(2-oxoquinoxalin-1-yl)acetyl]acetohydrazide.
What is the SMILES notation for 2-(1-methylbenzimidazol-2-yl)-N'-[2-(2-oxoquinoxalin-1-yl)acetyl]acetohydrazide?
The canonical SMILES for 2-(1-methylbenzimidazol-2-yl)-N'-[2-(2-oxoquinoxalin-1-yl)acetyl]acetohydrazide is Cn1c(CC(=O)NNC(=O)Cn2c(=O)cnc3ccccc32)nc2ccccc21.
What is the InChIKey of 2-(1-methylbenzimidazol-2-yl)-N'-[2-(2-oxoquinoxalin-1-yl)acetyl]acetohydrazide?
The InChIKey is KKLZNOUUHLRXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O3/c1-25-15-8-4-3-7-14(15)22-17(25)10-18(27)23-24-19(28)12-26-16-9-5-2-6-13(16)21-11-20(26)29/h2-9,11H,10,12H2,1H3,(H,23,27)(H,24,28).
What are the key properties of 2-(1-methylbenzimidazol-2-yl)-N'-[2-(2-oxoquinoxalin-1-yl)acetyl]acetohydrazide?
2-(1-methylbenzimidazol-2-yl)-N'-[2-(2-oxoquinoxalin-1-yl)acetyl]acetohydrazide has a molecular weight of 390.40 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylbenzimidazol-2-yl)-N'-[2-(2-oxoquinoxalin-1-yl)acetyl]acetohydrazide is sourced from PubChem (CID 18284100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).