N-[2-[2-(1-ethyl-2-methylbenzimidazole-5-carbonyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide

C18H19N5O4 — CID 27166329

IUPACN-[2-[2-(1-ethyl-2-methylbenzimidazole-5-carbonyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide
SMILESCCn1c(C)nc2cc(C(=O)NNC(=O)CNC(=O)c3ccco3)ccc21
InChIInChI=1S/C18H19N5O4/c1-3-23-11(2)20-13-9-12(6-7-14(13)23)17(25)22-21-16(24)10-19-18(26)15-5-4-8-27-15/h4-9H,3,10H2,1-2H3,(H,19,26)(H,21,24)(H,22,25)
InChIKeyWPJNICFLCSZSOW-UHFFFAOYSA-N
MW369.38 g/mol
LogP1.15
Rot. Bonds5

About N-[2-[2-(1-ethyl-2-methylbenzimidazole-5-carbonyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide

N-[2-[2-(1-ethyl-2-methylbenzimidazole-5-carbonyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide (PubChem CID 27166329) has the molecular formula C18H19N5O4 and a molecular weight of 369.38 g/mol. Its IUPAC name is N-[2-[2-(1-ethyl-2-methylbenzimidazole-5-carbonyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(1-ethyl-2-methylbenzimidazole-5-carbonyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide
PubChem CID27166329
Molecular FormulaC18H19N5O4
Molecular Weight369.38 g/mol
Exact Mass369.14
IUPAC NameN-[2-[2-(1-ethyl-2-methylbenzimidazole-5-carbonyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide
SMILESCCn1c(C)nc2cc(C(=O)NNC(=O)CNC(=O)c3ccco3)ccc21
InChIInChI=1S/C18H19N5O4/c1-3-23-11(2)20-13-9-12(6-7-14(13)23)17(25)22-21-16(24)10-19-18(26)15-5-4-8-27-15/h4-9H,3,10H2,1-2H3,(H,19,26)(H,21,24)(H,22,25)
InChIKeyWPJNICFLCSZSOW-UHFFFAOYSA-N
XLogP1.15
TPSA118.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-2-methyl-N'-[(3S)-3-phenylbutanoyl]benzimidazole-5-carbohydrazide
CID 2090701
N-[4-[[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]carbamoyl]phenyl]benzamide
CID 46633272
N'-(3,4-diethoxybenzoyl)-1-ethyl-2-methylbenzimidazole-5-carbohydrazide
CID 26536321
N-[2-[2-(3,5-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 7979811
1-ethyl-N'-[3-(2-methoxyphenoxy)propanoyl]-2-methylbenzimidazole-5-carbohydrazide
CID 4783019
1-ethyl-2-methyl-N'-(4-nitrobenzoyl)benzimidazole-5-carbohydrazide
CID 26536246
1-ethyl-2-methyl-N'-(4-prop-2-enoxybenzoyl)benzimidazole-5-carbohydrazide
CID 25349265
1-ethyl-N'-(2-iodo-3-methylbenzoyl)-2-methylbenzimidazole-5-carbohydrazide
CID 39707198
N'-[2-(2-tert-butylphenoxy)acetyl]-1-ethyl-2-methylbenzimidazole-5-carbohydrazide
CID 24535909
1-ethyl-2-methyl-N'-[(2S)-oxolane-2-carbonyl]benzimidazole-5-carbohydrazide
CID 27165621
1-ethyl-2-methyl-N'-[(2R)-oxolane-2-carbonyl]benzimidazole-5-carbohydrazide
CID 27165622
1-ethyl-2-methyl-N'-(2-methyl-2,3-dihydro-1,4-benzodioxine-3-carbonyl)benzimidazole-5-carbohydrazide
CID 51109748

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(1-ethyl-2-methylbenzimidazole-5-carbonyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[2-(1-ethyl-2-methylbenzimidazole-5-carbonyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide (CID 27166329) is N-[2-[2-(1-ethyl-2-methylbenzimidazole-5-carbonyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[2-(1-ethyl-2-methylbenzimidazole-5-carbonyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[2-(1-ethyl-2-methylbenzimidazole-5-carbonyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide is CCn1c(C)nc2cc(C(=O)NNC(=O)CNC(=O)c3ccco3)ccc21.
What is the InChIKey of N-[2-[2-(1-ethyl-2-methylbenzimidazole-5-carbonyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is WPJNICFLCSZSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O4/c1-3-23-11(2)20-13-9-12(6-7-14(13)23)17(25)22-21-16(24)10-19-18(26)15-5-4-8-27-15/h4-9H,3,10H2,1-2H3,(H,19,26)(H,21,24)(H,22,25).
What are the key properties of N-[2-[2-(1-ethyl-2-methylbenzimidazole-5-carbonyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide?
N-[2-[2-(1-ethyl-2-methylbenzimidazole-5-carbonyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 369.38 g/mol, XLogP of 1.15, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(1-ethyl-2-methylbenzimidazole-5-carbonyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 27166329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).