1-ethyl-2-methyl-N'-(4-nitrobenzoyl)benzimidazole-5-carbohydrazide

C18H17N5O4 — CID 26536246

IUPAC1-ethyl-2-methyl-N'-(4-nitrobenzoyl)benzimidazole-5-carbohydrazide
SMILESCCn1c(C)nc2cc(C(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)ccc21
InChIInChI=1S/C18H17N5O4/c1-3-22-11(2)19-15-10-13(6-9-16(15)22)18(25)21-20-17(24)12-4-7-14(8-5-12)23(26)27/h4-10H,3H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyXYKXKBWGESCVSM-UHFFFAOYSA-N
MW367.37 g/mol
LogP2.35
Rot. Bonds4

About 1-ethyl-2-methyl-N'-(4-nitrobenzoyl)benzimidazole-5-carbohydrazide

1-ethyl-2-methyl-N'-(4-nitrobenzoyl)benzimidazole-5-carbohydrazide (PubChem CID 26536246) has the molecular formula C18H17N5O4 and a molecular weight of 367.37 g/mol. Its IUPAC name is 1-ethyl-2-methyl-N'-(4-nitrobenzoyl)benzimidazole-5-carbohydrazide.

Molecular Properties

Compound Name1-ethyl-2-methyl-N'-(4-nitrobenzoyl)benzimidazole-5-carbohydrazide
PubChem CID26536246
Molecular FormulaC18H17N5O4
Molecular Weight367.37 g/mol
Exact Mass367.13
IUPAC Name1-ethyl-2-methyl-N'-(4-nitrobenzoyl)benzimidazole-5-carbohydrazide
SMILESCCn1c(C)nc2cc(C(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)ccc21
InChIInChI=1S/C18H17N5O4/c1-3-22-11(2)19-15-10-13(6-9-16(15)22)18(25)21-20-17(24)12-4-7-14(8-5-12)23(26)27/h4-10H,3H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyXYKXKBWGESCVSM-UHFFFAOYSA-N
XLogP2.35
TPSA119.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.37
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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
methyl 1-ethyl-2-methylbenzimidazole-5-carboxylate;2,4,6-trinitrophenol
CID 21232887
N'-(2,6-difluorobenzoyl)-1-ethyl-2-methylbenzimidazole-5-carbohydrazide
CID 36704035
1-ethyl-2-methyl-N'-(4-prop-2-enoxybenzoyl)benzimidazole-5-carbohydrazide
CID 25349265
1-ethyl-2-methyl-N'-[(2R)-oxolane-2-carbonyl]benzimidazole-5-carbohydrazide
CID 27165622
1-ethyl-2-methyl-N'-[(2S)-oxolane-2-carbonyl]benzimidazole-5-carbohydrazide
CID 27165621
1-ethyl-2-methyl-N'-[2-[4-(trifluoromethyl)phenyl]acetyl]benzimidazole-5-carbohydrazide
CID 24534673
1-ethyl-N'-(2-iodo-3-methylbenzoyl)-2-methylbenzimidazole-5-carbohydrazide
CID 39707198
1-ethyl-2-methyl-N'-[3-(4-nitro-1,3-dioxoisoindol-2-yl)propanoyl]benzimidazole-5-carbohydrazide
CID 2517036
1-ethyl-2-methyl-N'-[(3S)-3-phenylbutanoyl]benzimidazole-5-carbohydrazide
CID 2090701
1-ethyl-2-methyl-N-[(2-nitrophenyl)methylideneamino]benzimidazole-5-carboxamide
CID 2588560

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methyl-N'-(4-nitrobenzoyl)benzimidazole-5-carbohydrazide?
The IUPAC name of 1-ethyl-2-methyl-N'-(4-nitrobenzoyl)benzimidazole-5-carbohydrazide (CID 26536246) is 1-ethyl-2-methyl-N'-(4-nitrobenzoyl)benzimidazole-5-carbohydrazide.
What is the SMILES notation for 1-ethyl-2-methyl-N'-(4-nitrobenzoyl)benzimidazole-5-carbohydrazide?
The canonical SMILES for 1-ethyl-2-methyl-N'-(4-nitrobenzoyl)benzimidazole-5-carbohydrazide is CCn1c(C)nc2cc(C(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)ccc21.
What is the InChIKey of 1-ethyl-2-methyl-N'-(4-nitrobenzoyl)benzimidazole-5-carbohydrazide?
The InChIKey is XYKXKBWGESCVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O4/c1-3-22-11(2)19-15-10-13(6-9-16(15)22)18(25)21-20-17(24)12-4-7-14(8-5-12)23(26)27/h4-10H,3H2,1-2H3,(H,20,24)(H,21,25).
What are the key properties of 1-ethyl-2-methyl-N'-(4-nitrobenzoyl)benzimidazole-5-carbohydrazide?
1-ethyl-2-methyl-N'-(4-nitrobenzoyl)benzimidazole-5-carbohydrazide has a molecular weight of 367.37 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methyl-N'-(4-nitrobenzoyl)benzimidazole-5-carbohydrazide is sourced from PubChem (CID 26536246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).