N'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]oxolane-2-carbohydrazide

C15H18N4O4 — CID 86985909

IUPACN'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]oxolane-2-carbohydrazide
SMILESCn1c(=O)n(CC(=O)NNC(=O)C2CCCO2)c2ccccc21
InChIInChI=1S/C15H18N4O4/c1-18-10-5-2-3-6-11(10)19(15(18)22)9-13(20)16-17-14(21)12-7-4-8-23-12/h2-3,5-6,12H,4,7-9H2,1H3,(H,16,20)(H,17,21)
InChIKeySZROABTYCKMYMX-UHFFFAOYSA-N
MW318.33 g/mol
LogP-0.33
Rot. Bonds3

About N'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]oxolane-2-carbohydrazide

N'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]oxolane-2-carbohydrazide (PubChem CID 86985909) has the molecular formula C15H18N4O4 and a molecular weight of 318.33 g/mol. Its IUPAC name is N'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]oxolane-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]oxolane-2-carbohydrazide
PubChem CID86985909
Molecular FormulaC15H18N4O4
Molecular Weight318.33 g/mol
Exact Mass318.13
IUPAC NameN'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]oxolane-2-carbohydrazide
SMILESCn1c(=O)n(CC(=O)NNC(=O)C2CCCO2)c2ccccc21
InChIInChI=1S/C15H18N4O4/c1-18-10-5-2-3-6-11(10)19(15(18)22)9-13(20)16-17-14(21)12-7-4-8-23-12/h2-3,5-6,12H,4,7-9H2,1H3,(H,16,20)(H,17,21)
InChIKeySZROABTYCKMYMX-UHFFFAOYSA-N
XLogP-0.33
TPSA94.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(2-methylphenyl)acetyl]oxolane-2-carbohydrazide
CID 47189407
1-(2-methylcyclohexyl)-3-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]thiourea
CID 55501458
(2R)-N-(1-methylbenzimidazol-2-yl)oxolane-2-carboxamide
CID 35280653
N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]oxolane-2-carboxamide
CID 110785343
1-methyl-N'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]indole-3-carbohydrazide
CID 24607822
1-[2-(1,3-dioxan-2-yl)ethyl]-3-methylbenzimidazol-2-one
CID 66474341
(2S)-N'-(4-methylbenzoyl)oxolane-2-carbohydrazide
CID 40870131
N'-[2-(4-chlorophenyl)acetyl]oxolane-2-carbohydrazide
CID 5343509
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-pyridin-2-ylacetamide
CID 18142520
N'-(4-ethylbenzoyl)oxolane-2-carbohydrazide
CID 47099547
N'-(2-methylbenzoyl)oxolane-2-carbohydrazide
CID 51164592
N-(2-cyclopentyloxyphenyl)-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
CID 55807750

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]oxolane-2-carbohydrazide?
The IUPAC name of N'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]oxolane-2-carbohydrazide (CID 86985909) is N'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]oxolane-2-carbohydrazide.
What is the SMILES notation for N'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]oxolane-2-carbohydrazide?
The canonical SMILES for N'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]oxolane-2-carbohydrazide is Cn1c(=O)n(CC(=O)NNC(=O)C2CCCO2)c2ccccc21.
What is the InChIKey of N'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]oxolane-2-carbohydrazide?
The InChIKey is SZROABTYCKMYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4/c1-18-10-5-2-3-6-11(10)19(15(18)22)9-13(20)16-17-14(21)12-7-4-8-23-12/h2-3,5-6,12H,4,7-9H2,1H3,(H,16,20)(H,17,21).
What are the key properties of N'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]oxolane-2-carbohydrazide?
N'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]oxolane-2-carbohydrazide has a molecular weight of 318.33 g/mol, XLogP of -0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]oxolane-2-carbohydrazide is sourced from PubChem (CID 86985909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).