1,3-dimethyl-5-[[(5-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzimidazol-2-one

C19H17N5OS — CID 52942983

IUPAC1,3-dimethyl-5-[[(5-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc(C=NNc3ncc(-c4ccccc4)s3)ccc21
InChIInChI=1S/C19H17N5OS/c1-23-15-9-8-13(10-16(15)24(2)19(23)25)11-21-22-18-20-12-17(26-18)14-6-4-3-5-7-14/h3-12H,1-2H3,(H,20,22)
InChIKeyFMSXODXLBIFTML-UHFFFAOYSA-N
MW363.45 g/mol
LogP3.45
Rot. Bonds4

About 1,3-dimethyl-5-[[(5-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzimidazol-2-one

1,3-dimethyl-5-[[(5-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzimidazol-2-one (PubChem CID 52942983) has the molecular formula C19H17N5OS and a molecular weight of 363.45 g/mol. Its IUPAC name is 1,3-dimethyl-5-[[(5-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzimidazol-2-one.

Molecular Properties

Compound Name1,3-dimethyl-5-[[(5-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzimidazol-2-one
PubChem CID52942983
Molecular FormulaC19H17N5OS
Molecular Weight363.45 g/mol
Exact Mass363.12
IUPAC Name1,3-dimethyl-5-[[(5-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc(C=NNc3ncc(-c4ccccc4)s3)ccc21
InChIInChI=1S/C19H17N5OS/c1-23-15-9-8-13(10-16(15)24(2)19(23)25)11-21-22-18-20-12-17(26-18)14-6-4-3-5-7-14/h3-12H,1-2H3,(H,20,22)
InChIKeyFMSXODXLBIFTML-UHFFFAOYSA-N
XLogP3.45
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[[(5-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzimidazol-2-one?
The IUPAC name of 1,3-dimethyl-5-[[(5-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzimidazol-2-one (CID 52942983) is 1,3-dimethyl-5-[[(5-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzimidazol-2-one.
What is the SMILES notation for 1,3-dimethyl-5-[[(5-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzimidazol-2-one?
The canonical SMILES for 1,3-dimethyl-5-[[(5-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzimidazol-2-one is Cn1c(=O)n(C)c2cc(C=NNc3ncc(-c4ccccc4)s3)ccc21.
What is the InChIKey of 1,3-dimethyl-5-[[(5-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzimidazol-2-one?
The InChIKey is FMSXODXLBIFTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5OS/c1-23-15-9-8-13(10-16(15)24(2)19(23)25)11-21-22-18-20-12-17(26-18)14-6-4-3-5-7-14/h3-12H,1-2H3,(H,20,22).
What are the key properties of 1,3-dimethyl-5-[[(5-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzimidazol-2-one?
1,3-dimethyl-5-[[(5-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzimidazol-2-one has a molecular weight of 363.45 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[[(5-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzimidazol-2-one is sourced from PubChem (CID 52942983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).