2-(2-hydroxy-5-methoxyphenyl)-3H-benzimidazole-5-carboximidamide

C15H14N4O2 — CID 1503

IUPAC2-(2-hydroxy-5-methoxyphenyl)-3H-benzimidazole-5-carboximidamide
SMILES[H]/N=C(\N)c1ccc2nc(-c3cc(OC)ccc3O)[nH]c2c1
InChIInChI=1S/C15H14N4O2/c1-21-9-3-5-13(20)10(7-9)15-18-11-4-2-8(14(16)17)6-12(11)19-15/h2-7,20H,1H3,(H3,16,17)(H,18,19)
InChIKeyZFCKHJJALHETHG-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.23
Rot. Bonds3

About 2-(2-hydroxy-5-methoxyphenyl)-3H-benzimidazole-5-carboximidamide

2-(2-hydroxy-5-methoxyphenyl)-3H-benzimidazole-5-carboximidamide (PubChem CID 1503) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-(2-hydroxy-5-methoxyphenyl)-3H-benzimidazole-5-carboximidamide.

Molecular Properties

Compound Name2-(2-hydroxy-5-methoxyphenyl)-3H-benzimidazole-5-carboximidamide
PubChem CID1503
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name2-(2-hydroxy-5-methoxyphenyl)-3H-benzimidazole-5-carboximidamide
SMILES[H]/N=C(\N)c1ccc2nc(-c3cc(OC)ccc3O)[nH]c2c1
InChIInChI=1S/C15H14N4O2/c1-21-9-3-5-13(20)10(7-9)15-18-11-4-2-8(14(16)17)6-12(11)19-15/h2-7,20H,1H3,(H3,16,17)(H,18,19)
InChIKeyZFCKHJJALHETHG-UHFFFAOYSA-N
XLogP2.23
TPSA108.01 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-5-methoxyphenyl)-3H-benzimidazole-5-carboximidamide?
The IUPAC name of 2-(2-hydroxy-5-methoxyphenyl)-3H-benzimidazole-5-carboximidamide (CID 1503) is 2-(2-hydroxy-5-methoxyphenyl)-3H-benzimidazole-5-carboximidamide.
What is the SMILES notation for 2-(2-hydroxy-5-methoxyphenyl)-3H-benzimidazole-5-carboximidamide?
The canonical SMILES for 2-(2-hydroxy-5-methoxyphenyl)-3H-benzimidazole-5-carboximidamide is [H]/N=C(\N)c1ccc2nc(-c3cc(OC)ccc3O)[nH]c2c1.
What is the InChIKey of 2-(2-hydroxy-5-methoxyphenyl)-3H-benzimidazole-5-carboximidamide?
The InChIKey is ZFCKHJJALHETHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-21-9-3-5-13(20)10(7-9)15-18-11-4-2-8(14(16)17)6-12(11)19-15/h2-7,20H,1H3,(H3,16,17)(H,18,19).
What are the key properties of 2-(2-hydroxy-5-methoxyphenyl)-3H-benzimidazole-5-carboximidamide?
2-(2-hydroxy-5-methoxyphenyl)-3H-benzimidazole-5-carboximidamide has a molecular weight of 282.30 g/mol, XLogP of 2.23, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-5-methoxyphenyl)-3H-benzimidazole-5-carboximidamide is sourced from PubChem (CID 1503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).