2-methyl-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]quinoline-4-carbohydrazide

C21H19N5O2 — CID 4789695

IUPAC2-methyl-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]quinoline-4-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)Cc2nc3ccccc3n2C)c2ccccc2n1
InChIInChI=1S/C21H19N5O2/c1-13-11-15(14-7-3-4-8-16(14)22-13)21(28)25-24-20(27)12-19-23-17-9-5-6-10-18(17)26(19)2/h3-11H,12H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyWEQPZMPOWMRCQP-UHFFFAOYSA-N
MW373.42 g/mol
LogP2.43
Rot. Bonds3

About 2-methyl-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]quinoline-4-carbohydrazide

2-methyl-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]quinoline-4-carbohydrazide (PubChem CID 4789695) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is 2-methyl-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]quinoline-4-carbohydrazide.

Molecular Properties

Compound Name2-methyl-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]quinoline-4-carbohydrazide
PubChem CID4789695
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC Name2-methyl-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]quinoline-4-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)Cc2nc3ccccc3n2C)c2ccccc2n1
InChIInChI=1S/C21H19N5O2/c1-13-11-15(14-7-3-4-8-16(14)22-13)21(28)25-24-20(27)12-19-23-17-9-5-6-10-18(17)26(19)2/h3-11H,12H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyWEQPZMPOWMRCQP-UHFFFAOYSA-N
XLogP2.43
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,4-difluoro-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]benzohydrazide
CID 4787678
4-chloro-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]benzohydrazide
CID 3603733
N'-[2-(1-methylbenzimidazol-2-yl)acetyl]thieno[3,2-b][1]benzothiole-2-carbohydrazide
CID 25351820
3-cyano-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]benzohydrazide
CID 24634772
5-bromo-3-methyl-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]-1-benzofuran-2-carbohydrazide
CID 25490154
2-(2-methoxyphenyl)-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]acetohydrazide
CID 18158832
6-fluoro-2-methyl-N'-(2-phenylacetyl)quinoline-4-carbohydrazide
CID 4732359
N'-[2-(2,4-dimethylanilino)acetyl]-2-methylquinoline-4-carbohydrazide
CID 102603450
N'-[2-(1-methylbenzimidazol-2-yl)acetyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetohydrazide
CID 24634756
N'-[2-(4-cyanophenoxy)acetyl]-2-methylquinoline-4-carbohydrazide
CID 9471732
2-(furan-2-yl)-N'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]quinoline-4-carbohydrazide
CID 134051137
3-cyclohexyl-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]propanehydrazide
CID 24634766

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]quinoline-4-carbohydrazide?
The IUPAC name of 2-methyl-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]quinoline-4-carbohydrazide (CID 4789695) is 2-methyl-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]quinoline-4-carbohydrazide.
What is the SMILES notation for 2-methyl-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]quinoline-4-carbohydrazide?
The canonical SMILES for 2-methyl-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]quinoline-4-carbohydrazide is Cc1cc(C(=O)NNC(=O)Cc2nc3ccccc3n2C)c2ccccc2n1.
What is the InChIKey of 2-methyl-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]quinoline-4-carbohydrazide?
The InChIKey is WEQPZMPOWMRCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-13-11-15(14-7-3-4-8-16(14)22-13)21(28)25-24-20(27)12-19-23-17-9-5-6-10-18(17)26(19)2/h3-11H,12H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of 2-methyl-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]quinoline-4-carbohydrazide?
2-methyl-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]quinoline-4-carbohydrazide has a molecular weight of 373.42 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]quinoline-4-carbohydrazide is sourced from PubChem (CID 4789695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).