N-cyclopropyl-2-[2-(2-methyl-1-phenylbenzimidazole-5-carbonyl)hydrazinyl]-2-oxoacetamide

C20H19N5O3 — CID 60600851

IUPACN-cyclopropyl-2-[2-(2-methyl-1-phenylbenzimidazole-5-carbonyl)hydrazinyl]-2-oxoacetamide
SMILESCc1nc2cc(C(=O)NNC(=O)C(=O)NC3CC3)ccc2n1-c1ccccc1
InChIInChI=1S/C20H19N5O3/c1-12-21-16-11-13(7-10-17(16)25(12)15-5-3-2-4-6-15)18(26)23-24-20(28)19(27)22-14-8-9-14/h2-7,10-11,14H,8-9H2,1H3,(H,22,27)(H,23,26)(H,24,28)
InChIKeyOQZJFGCDRSSLBB-UHFFFAOYSA-N
MW377.40 g/mol
LogP1.37
Rot. Bonds3

About N-cyclopropyl-2-[2-(2-methyl-1-phenylbenzimidazole-5-carbonyl)hydrazinyl]-2-oxoacetamide

N-cyclopropyl-2-[2-(2-methyl-1-phenylbenzimidazole-5-carbonyl)hydrazinyl]-2-oxoacetamide (PubChem CID 60600851) has the molecular formula C20H19N5O3 and a molecular weight of 377.40 g/mol. Its IUPAC name is N-cyclopropyl-2-[2-(2-methyl-1-phenylbenzimidazole-5-carbonyl)hydrazinyl]-2-oxoacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[2-(2-methyl-1-phenylbenzimidazole-5-carbonyl)hydrazinyl]-2-oxoacetamide
PubChem CID60600851
Molecular FormulaC20H19N5O3
Molecular Weight377.40 g/mol
Exact Mass377.15
IUPAC NameN-cyclopropyl-2-[2-(2-methyl-1-phenylbenzimidazole-5-carbonyl)hydrazinyl]-2-oxoacetamide
SMILESCc1nc2cc(C(=O)NNC(=O)C(=O)NC3CC3)ccc2n1-c1ccccc1
InChIInChI=1S/C20H19N5O3/c1-12-21-16-11-13(7-10-17(16)25(12)15-5-3-2-4-6-15)18(26)23-24-20(28)19(27)22-14-8-9-14/h2-7,10-11,14H,8-9H2,1H3,(H,22,27)(H,23,26)(H,24,28)
InChIKeyOQZJFGCDRSSLBB-UHFFFAOYSA-N
XLogP1.37
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1-phenyl-N-pyrrolidin-3-ylbenzimidazole-5-carboxamide;dihydrochloride
CID 119452060
N'-(2-chlorobenzoyl)-2-methyl-1-phenylbenzimidazole-5-carbohydrazide
CID 55333924
2-methyl-N-[(2R,4R)-2-methylpiperidin-4-yl]-1-phenylbenzimidazole-5-carboxamide
CID 167929322
2-methyl-N-[(3S)-1-methylpiperidin-3-yl]-1-phenylbenzimidazole-5-carboxamide
CID 95761729
1-(2-methyl-1-phenylbenzimidazol-5-yl)ethanone
CID 3494565
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-methyl-1-phenylbenzimidazole-5-carboxylate
CID 4022244
N-(2-amino-1-cyclopropylethyl)-2-methyl-1-phenylbenzimidazole-5-carboxamide;dihydrochloride
CID 119615452
N-cyclopropyl-2-[2-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]hydrazinyl]-2-oxoacetamide
CID 134008259
1-[4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)piperazin-1-yl]ethanone
CID 34838428
azepan-1-yl-(2-methyl-1-phenylbenzimidazol-5-yl)methanone
CID 40723608
N-(3-acetylphenyl)-2-methyl-1-phenylbenzimidazole-5-carboxamide
CID 40723784
N-(3-acetamido-2-methylphenyl)-2-methyl-1-phenylbenzimidazole-5-carboxamide
CID 37067853

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[2-(2-methyl-1-phenylbenzimidazole-5-carbonyl)hydrazinyl]-2-oxoacetamide?
The IUPAC name of N-cyclopropyl-2-[2-(2-methyl-1-phenylbenzimidazole-5-carbonyl)hydrazinyl]-2-oxoacetamide (CID 60600851) is N-cyclopropyl-2-[2-(2-methyl-1-phenylbenzimidazole-5-carbonyl)hydrazinyl]-2-oxoacetamide.
What is the SMILES notation for N-cyclopropyl-2-[2-(2-methyl-1-phenylbenzimidazole-5-carbonyl)hydrazinyl]-2-oxoacetamide?
The canonical SMILES for N-cyclopropyl-2-[2-(2-methyl-1-phenylbenzimidazole-5-carbonyl)hydrazinyl]-2-oxoacetamide is Cc1nc2cc(C(=O)NNC(=O)C(=O)NC3CC3)ccc2n1-c1ccccc1.
What is the InChIKey of N-cyclopropyl-2-[2-(2-methyl-1-phenylbenzimidazole-5-carbonyl)hydrazinyl]-2-oxoacetamide?
The InChIKey is OQZJFGCDRSSLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3/c1-12-21-16-11-13(7-10-17(16)25(12)15-5-3-2-4-6-15)18(26)23-24-20(28)19(27)22-14-8-9-14/h2-7,10-11,14H,8-9H2,1H3,(H,22,27)(H,23,26)(H,24,28).
What are the key properties of N-cyclopropyl-2-[2-(2-methyl-1-phenylbenzimidazole-5-carbonyl)hydrazinyl]-2-oxoacetamide?
N-cyclopropyl-2-[2-(2-methyl-1-phenylbenzimidazole-5-carbonyl)hydrazinyl]-2-oxoacetamide has a molecular weight of 377.40 g/mol, XLogP of 1.37, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[2-(2-methyl-1-phenylbenzimidazole-5-carbonyl)hydrazinyl]-2-oxoacetamide is sourced from PubChem (CID 60600851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).