2-[1-(4,5-dimethyl-1,3-thiazol-2-yl)benzimidazol-2-yl]-N'-hydroxyethanimidamide

C14H15N5OS — CID 77058048

IUPAC2-[1-(4,5-dimethyl-1,3-thiazol-2-yl)benzimidazol-2-yl]-N'-hydroxyethanimidamide
SMILESCc1nc(-n2c(CC(N)=NO)nc3ccccc32)sc1C
InChIInChI=1S/C14H15N5OS/c1-8-9(2)21-14(16-8)19-11-6-4-3-5-10(11)17-13(19)7-12(15)18-20/h3-6,20H,7H2,1-2H3,(H2,15,18)
InChIKeyXNZMMKQKSNOBAH-UHFFFAOYSA-N
MW301.38 g/mol
LogP2.39
Rot. Bonds3

About 2-[1-(4,5-dimethyl-1,3-thiazol-2-yl)benzimidazol-2-yl]-N'-hydroxyethanimidamide

2-[1-(4,5-dimethyl-1,3-thiazol-2-yl)benzimidazol-2-yl]-N'-hydroxyethanimidamide (PubChem CID 77058048) has the molecular formula C14H15N5OS and a molecular weight of 301.38 g/mol. Its IUPAC name is 2-[1-(4,5-dimethyl-1,3-thiazol-2-yl)benzimidazol-2-yl]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[1-(4,5-dimethyl-1,3-thiazol-2-yl)benzimidazol-2-yl]-N'-hydroxyethanimidamide
PubChem CID77058048
Molecular FormulaC14H15N5OS
Molecular Weight301.38 g/mol
Exact Mass301.10
IUPAC Name2-[1-(4,5-dimethyl-1,3-thiazol-2-yl)benzimidazol-2-yl]-N'-hydroxyethanimidamide
SMILESCc1nc(-n2c(CC(N)=NO)nc3ccccc32)sc1C
InChIInChI=1S/C14H15N5OS/c1-8-9(2)21-14(16-8)19-11-6-4-3-5-10(11)17-13(19)7-12(15)18-20/h3-6,20H,7H2,1-2H3,(H2,15,18)
InChIKeyXNZMMKQKSNOBAH-UHFFFAOYSA-N
XLogP2.39
TPSA89.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_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 2-[1-(4,5-dimethyl-1,3-thiazol-2-yl)benzimidazol-2-yl]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[1-(4,5-dimethyl-1,3-thiazol-2-yl)benzimidazol-2-yl]-N'-hydroxyethanimidamide (CID 77058048) is 2-[1-(4,5-dimethyl-1,3-thiazol-2-yl)benzimidazol-2-yl]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[1-(4,5-dimethyl-1,3-thiazol-2-yl)benzimidazol-2-yl]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[1-(4,5-dimethyl-1,3-thiazol-2-yl)benzimidazol-2-yl]-N'-hydroxyethanimidamide is Cc1nc(-n2c(CC(N)=NO)nc3ccccc32)sc1C.
What is the InChIKey of 2-[1-(4,5-dimethyl-1,3-thiazol-2-yl)benzimidazol-2-yl]-N'-hydroxyethanimidamide?
The InChIKey is XNZMMKQKSNOBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5OS/c1-8-9(2)21-14(16-8)19-11-6-4-3-5-10(11)17-13(19)7-12(15)18-20/h3-6,20H,7H2,1-2H3,(H2,15,18).
What are the key properties of 2-[1-(4,5-dimethyl-1,3-thiazol-2-yl)benzimidazol-2-yl]-N'-hydroxyethanimidamide?
2-[1-(4,5-dimethyl-1,3-thiazol-2-yl)benzimidazol-2-yl]-N'-hydroxyethanimidamide has a molecular weight of 301.38 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4,5-dimethyl-1,3-thiazol-2-yl)benzimidazol-2-yl]-N'-hydroxyethanimidamide is sourced from PubChem (CID 77058048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).