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

C20H19N5O3 — CID 24607822

IUPAC1-methyl-N'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]indole-3-carbohydrazide
SMILESCn1cc(C(=O)NNC(=O)Cn2c(=O)n(C)c3ccccc32)c2ccccc21
InChIInChI=1S/C20H19N5O3/c1-23-11-14(13-7-3-4-8-15(13)23)19(27)22-21-18(26)12-25-17-10-6-5-9-16(17)24(2)20(25)28/h3-11H,12H2,1-2H3,(H,21,26)(H,22,27)
InChIKeyLZKVQOUFBCTKEM-UHFFFAOYSA-N
MW377.40 g/mol
LogP1.29
Rot. Bonds3

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

1-methyl-N'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]indole-3-carbohydrazide (PubChem CID 24607822) has the molecular formula C20H19N5O3 and a molecular weight of 377.40 g/mol. Its IUPAC name is 1-methyl-N'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]indole-3-carbohydrazide.

Molecular Properties

Compound Name1-methyl-N'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]indole-3-carbohydrazide
PubChem CID24607822
Molecular FormulaC20H19N5O3
Molecular Weight377.40 g/mol
Exact Mass377.15
IUPAC Name1-methyl-N'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]indole-3-carbohydrazide
SMILESCn1cc(C(=O)NNC(=O)Cn2c(=O)n(C)c3ccccc32)c2ccccc21
InChIInChI=1S/C20H19N5O3/c1-23-11-14(13-7-3-4-8-15(13)23)19(27)22-21-18(26)12-25-17-10-6-5-9-16(17)24(2)20(25)28/h3-11H,12H2,1-2H3,(H,21,26)(H,22,27)
InChIKeyLZKVQOUFBCTKEM-UHFFFAOYSA-N
XLogP1.29
TPSA90.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 51.29
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-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]-1-methylindole-3-carbohydrazide
CID 40716285
N'-hexanoyl-1-methylindole-3-carbohydrazide
CID 46549476
2-(furan-2-yl)-N'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]quinoline-4-carbohydrazide
CID 134051137
N'-(4-chlorobenzoyl)-1-methylindole-3-carbohydrazide
CID 9206903
1-methyl-N'-[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]indole-3-carbohydrazide
CID 40717499
N'-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-1-methylindole-3-carbohydrazide
CID 40717487
1-methyl-N'-[2-(4-phenoxyphenoxy)acetyl]indole-3-carbohydrazide
CID 25468814
5-(4-fluorophenyl)-N'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]thiophene-2-carbohydrazide
CID 26046075
N-ethyl-1-methylindole-3-carboxamide
CID 25348690
N'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 24607659
N'-[4-(2,5-dimethylphenyl)-4-oxobutanoyl]-1-methylindole-3-carbohydrazide
CID 40717339
N'-(2,5-dimethylthiophene-3-carbonyl)-1-methylindole-3-carbohydrazide
CID 31737928

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]indole-3-carbohydrazide?
The IUPAC name of 1-methyl-N'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]indole-3-carbohydrazide (CID 24607822) is 1-methyl-N'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]indole-3-carbohydrazide.
What is the SMILES notation for 1-methyl-N'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]indole-3-carbohydrazide?
The canonical SMILES for 1-methyl-N'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]indole-3-carbohydrazide is Cn1cc(C(=O)NNC(=O)Cn2c(=O)n(C)c3ccccc32)c2ccccc21.
What is the InChIKey of 1-methyl-N'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]indole-3-carbohydrazide?
The InChIKey is LZKVQOUFBCTKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3/c1-23-11-14(13-7-3-4-8-15(13)23)19(27)22-21-18(26)12-25-17-10-6-5-9-16(17)24(2)20(25)28/h3-11H,12H2,1-2H3,(H,21,26)(H,22,27).
What are the key properties of 1-methyl-N'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]indole-3-carbohydrazide?
1-methyl-N'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]indole-3-carbohydrazide has a molecular weight of 377.40 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]indole-3-carbohydrazide is sourced from PubChem (CID 24607822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).