N'-(2-methylsulfanyl-3-phenylimidazole-4-carbonyl)-1H-indole-3-carbohydrazide

C20H17N5O2S — CID 30456352

IUPACN'-(2-methylsulfanyl-3-phenylimidazole-4-carbonyl)-1H-indole-3-carbohydrazide
SMILESCSc1ncc(C(=O)NNC(=O)c2c[nH]c3ccccc23)n1-c1ccccc1
InChIInChI=1S/C20H17N5O2S/c1-28-20-22-12-17(25(20)13-7-3-2-4-8-13)19(27)24-23-18(26)15-11-21-16-10-6-5-9-14(15)16/h2-12,21H,1H3,(H,23,26)(H,24,27)
InChIKeyXCGNGTAIBCXXJQ-UHFFFAOYSA-N
MW391.46 g/mol
LogP3.15
Rot. Bonds4

About N'-(2-methylsulfanyl-3-phenylimidazole-4-carbonyl)-1H-indole-3-carbohydrazide

N'-(2-methylsulfanyl-3-phenylimidazole-4-carbonyl)-1H-indole-3-carbohydrazide (PubChem CID 30456352) has the molecular formula C20H17N5O2S and a molecular weight of 391.46 g/mol. Its IUPAC name is N'-(2-methylsulfanyl-3-phenylimidazole-4-carbonyl)-1H-indole-3-carbohydrazide.

Molecular Properties

Compound NameN'-(2-methylsulfanyl-3-phenylimidazole-4-carbonyl)-1H-indole-3-carbohydrazide
PubChem CID30456352
Molecular FormulaC20H17N5O2S
Molecular Weight391.46 g/mol
Exact Mass391.11
IUPAC NameN'-(2-methylsulfanyl-3-phenylimidazole-4-carbonyl)-1H-indole-3-carbohydrazide
SMILESCSc1ncc(C(=O)NNC(=O)c2c[nH]c3ccccc23)n1-c1ccccc1
InChIInChI=1S/C20H17N5O2S/c1-28-20-22-12-17(25(20)13-7-3-2-4-8-13)19(27)24-23-18(26)15-11-21-16-10-6-5-9-14(15)16/h2-12,21H,1H3,(H,23,26)(H,24,27)
InChIKeyXCGNGTAIBCXXJQ-UHFFFAOYSA-N
XLogP3.15
TPSA91.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.46
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-benzoyl-3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carbohydrazide
CID 30532232
2-methylsulfanyl-3-phenylimidazole-4-carboxamide
CID 47110159
N'-acetyl-1H-indole-3-carbohydrazide
CID 4271892
2-methylsulfanyl-3-phenyl-N-(1H-1,2,4-triazol-5-yl)imidazole-4-carboxamide
CID 30864717
3-(4-fluorophenyl)-N'-(3-methylbutanoyl)-2-methylsulfanylimidazole-4-carbohydrazide
CID 24644526
N-(4-acetyl-1,3-thiazol-2-yl)-2-methylsulfanyl-3-phenylimidazole-4-carboxamide
CID 51248191
N'-[5-ethyl-1-(4-methylphenyl)pyrazole-4-carbonyl]-1H-indole-3-carbohydrazide
CID 134034968
N-[2-[(2-fluorobenzoyl)amino]ethyl]-3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxamide
CID 55973799
N'-(3-aminopyrazine-2-carbonyl)-1H-indole-3-carbohydrazide
CID 29494435
methyl 4-[(1H-indole-3-carbonylamino)carbamoyl]benzoate
CID 30455774
N'-(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)-1H-indole-3-carbohydrazide
CID 43070019
N'-(3,4,5-trimethoxybenzoyl)-1H-indole-3-carbohydrazide
CID 30455105

Frequently Asked Questions

What is the IUPAC name of N'-(2-methylsulfanyl-3-phenylimidazole-4-carbonyl)-1H-indole-3-carbohydrazide?
The IUPAC name of N'-(2-methylsulfanyl-3-phenylimidazole-4-carbonyl)-1H-indole-3-carbohydrazide (CID 30456352) is N'-(2-methylsulfanyl-3-phenylimidazole-4-carbonyl)-1H-indole-3-carbohydrazide.
What is the SMILES notation for N'-(2-methylsulfanyl-3-phenylimidazole-4-carbonyl)-1H-indole-3-carbohydrazide?
The canonical SMILES for N'-(2-methylsulfanyl-3-phenylimidazole-4-carbonyl)-1H-indole-3-carbohydrazide is CSc1ncc(C(=O)NNC(=O)c2c[nH]c3ccccc23)n1-c1ccccc1.
What is the InChIKey of N'-(2-methylsulfanyl-3-phenylimidazole-4-carbonyl)-1H-indole-3-carbohydrazide?
The InChIKey is XCGNGTAIBCXXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2S/c1-28-20-22-12-17(25(20)13-7-3-2-4-8-13)19(27)24-23-18(26)15-11-21-16-10-6-5-9-14(15)16/h2-12,21H,1H3,(H,23,26)(H,24,27).
What are the key properties of N'-(2-methylsulfanyl-3-phenylimidazole-4-carbonyl)-1H-indole-3-carbohydrazide?
N'-(2-methylsulfanyl-3-phenylimidazole-4-carbonyl)-1H-indole-3-carbohydrazide has a molecular weight of 391.46 g/mol, XLogP of 3.15, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylsulfanyl-3-phenylimidazole-4-carbonyl)-1H-indole-3-carbohydrazide is sourced from PubChem (CID 30456352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).