2-(2,5-dimethylimidazol-1-yl)-N'-hydroxy-3-(4-hydroxyphenyl)indole-1-carboximidamide

C20H19N5O2 — CID 88851175

IUPAC2-(2,5-dimethylimidazol-1-yl)-N'-hydroxy-3-(4-hydroxyphenyl)indole-1-carboximidamide
SMILESCc1cnc(C)n1-c1c(-c2ccc(O)cc2)c2ccccc2n1/C(N)=N/O
InChIInChI=1S/C20H19N5O2/c1-12-11-22-13(2)24(12)19-18(14-7-9-15(26)10-8-14)16-5-3-4-6-17(16)25(19)20(21)23-27/h3-11,26-27H,1-2H3,(H2,21,23)
InChIKeyJIBLZNQMMXDWBC-UHFFFAOYSA-N
MW361.41 g/mol
LogP3.37
Rot. Bonds2

About 2-(2,5-dimethylimidazol-1-yl)-N'-hydroxy-3-(4-hydroxyphenyl)indole-1-carboximidamide

2-(2,5-dimethylimidazol-1-yl)-N'-hydroxy-3-(4-hydroxyphenyl)indole-1-carboximidamide (PubChem CID 88851175) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 2-(2,5-dimethylimidazol-1-yl)-N'-hydroxy-3-(4-hydroxyphenyl)indole-1-carboximidamide.

Molecular Properties

Compound Name2-(2,5-dimethylimidazol-1-yl)-N'-hydroxy-3-(4-hydroxyphenyl)indole-1-carboximidamide
PubChem CID88851175
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name2-(2,5-dimethylimidazol-1-yl)-N'-hydroxy-3-(4-hydroxyphenyl)indole-1-carboximidamide
SMILESCc1cnc(C)n1-c1c(-c2ccc(O)cc2)c2ccccc2n1/C(N)=N/O
InChIInChI=1S/C20H19N5O2/c1-12-11-22-13(2)24(12)19-18(14-7-9-15(26)10-8-14)16-5-3-4-6-17(16)25(19)20(21)23-27/h3-11,26-27H,1-2H3,(H2,21,23)
InChIKeyJIBLZNQMMXDWBC-UHFFFAOYSA-N
XLogP3.37
TPSA101.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.37
H-Bond Donors ≤ 53
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-(2,5-dimethylimidazol-1-yl)-N'-hydroxy-3-(4-hydroxyphenyl)indole-1-carboximidamide?
The IUPAC name of 2-(2,5-dimethylimidazol-1-yl)-N'-hydroxy-3-(4-hydroxyphenyl)indole-1-carboximidamide (CID 88851175) is 2-(2,5-dimethylimidazol-1-yl)-N'-hydroxy-3-(4-hydroxyphenyl)indole-1-carboximidamide.
What is the SMILES notation for 2-(2,5-dimethylimidazol-1-yl)-N'-hydroxy-3-(4-hydroxyphenyl)indole-1-carboximidamide?
The canonical SMILES for 2-(2,5-dimethylimidazol-1-yl)-N'-hydroxy-3-(4-hydroxyphenyl)indole-1-carboximidamide is Cc1cnc(C)n1-c1c(-c2ccc(O)cc2)c2ccccc2n1/C(N)=N/O.
What is the InChIKey of 2-(2,5-dimethylimidazol-1-yl)-N'-hydroxy-3-(4-hydroxyphenyl)indole-1-carboximidamide?
The InChIKey is JIBLZNQMMXDWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-12-11-22-13(2)24(12)19-18(14-7-9-15(26)10-8-14)16-5-3-4-6-17(16)25(19)20(21)23-27/h3-11,26-27H,1-2H3,(H2,21,23).
What are the key properties of 2-(2,5-dimethylimidazol-1-yl)-N'-hydroxy-3-(4-hydroxyphenyl)indole-1-carboximidamide?
2-(2,5-dimethylimidazol-1-yl)-N'-hydroxy-3-(4-hydroxyphenyl)indole-1-carboximidamide has a molecular weight of 361.41 g/mol, XLogP of 3.37, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylimidazol-1-yl)-N'-hydroxy-3-(4-hydroxyphenyl)indole-1-carboximidamide is sourced from PubChem (CID 88851175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).