N'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide

C22H20N4O5 — CID 24607659

IUPACN'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
SMILESCn1c(=O)n(CC(=O)NNC(=O)c2ccc(COc3ccccc3)o2)c2ccccc21
InChIInChI=1S/C22H20N4O5/c1-25-17-9-5-6-10-18(17)26(22(25)29)13-20(27)23-24-21(28)19-12-11-16(31-19)14-30-15-7-3-2-4-8-15/h2-12H,13-14H2,1H3,(H,23,27)(H,24,28)
InChIKeyLMEFFNAWTCSIDI-UHFFFAOYSA-N
MW420.43 g/mol
LogP1.97
Rot. Bonds6

About N'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide

N'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide (PubChem CID 24607659) has the molecular formula C22H20N4O5 and a molecular weight of 420.43 g/mol. Its IUPAC name is N'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
PubChem CID24607659
Molecular FormulaC22H20N4O5
Molecular Weight420.43 g/mol
Exact Mass420.14
IUPAC NameN'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
SMILESCn1c(=O)n(CC(=O)NNC(=O)c2ccc(COc3ccccc3)o2)c2ccccc21
InChIInChI=1S/C22H20N4O5/c1-25-17-9-5-6-10-18(17)26(22(25)29)13-20(27)23-24-21(28)19-12-11-16(31-19)14-30-15-7-3-2-4-8-15/h2-12H,13-14H2,1H3,(H,23,27)(H,24,28)
InChIKeyLMEFFNAWTCSIDI-UHFFFAOYSA-N
XLogP1.97
TPSA107.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.43
LogP ≤ 51.97
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

N'-(2-methoxyacetyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 31466053
N'-[2-(4-hydroxyphenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 78822023
N'-[2-(4-ethylphenoxy)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 26717724
N'-[2-(4-ethoxyphenoxy)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 9219862
N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 18120641
N'-(4-phenoxybutanoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 31837131
N'-(4-methylbenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 7979169
N'-[2-(2-methylphenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 18204877
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(3-phenoxypropyl)acetamide
CID 18142814
N'-[2-(4-chlorophenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 9219836
1-ethyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]indole-2-carbohydrazide
CID 55928950
N-methyl-5-(phenoxymethyl)furan-2-carboxamide
CID 7678218

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide?
The IUPAC name of N'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide (CID 24607659) is N'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide.
What is the SMILES notation for N'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide?
The canonical SMILES for N'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide is Cn1c(=O)n(CC(=O)NNC(=O)c2ccc(COc3ccccc3)o2)c2ccccc21.
What is the InChIKey of N'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide?
The InChIKey is LMEFFNAWTCSIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O5/c1-25-17-9-5-6-10-18(17)26(22(25)29)13-20(27)23-24-21(28)19-12-11-16(31-19)14-30-15-7-3-2-4-8-15/h2-12H,13-14H2,1H3,(H,23,27)(H,24,28).
What are the key properties of N'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide?
N'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide has a molecular weight of 420.43 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide is sourced from PubChem (CID 24607659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).