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

C15H14N4O — CID 135501618

IUPAC2-(2-hydroxy-3-methylphenyl)-3H-benzimidazole-5-carboximidamide
SMILES[H]/N=C(\N)c1ccc2nc(-c3cccc(C)c3O)[nH]c2c1
InChIInChI=1S/C15H14N4O/c1-8-3-2-4-10(13(8)20)15-18-11-6-5-9(14(16)17)7-12(11)19-15/h2-7,20H,1H3,(H3,16,17)(H,18,19)
InChIKeyQFGHSAAJZBLSSS-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.53
Rot. Bonds2

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

2-(2-hydroxy-3-methylphenyl)-3H-benzimidazole-5-carboximidamide (PubChem CID 135501618) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-(2-hydroxy-3-methylphenyl)-3H-benzimidazole-5-carboximidamide.

Molecular Properties

Compound Name2-(2-hydroxy-3-methylphenyl)-3H-benzimidazole-5-carboximidamide
PubChem CID135501618
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name2-(2-hydroxy-3-methylphenyl)-3H-benzimidazole-5-carboximidamide
SMILES[H]/N=C(\N)c1ccc2nc(-c3cccc(C)c3O)[nH]c2c1
InChIInChI=1S/C15H14N4O/c1-8-3-2-4-10(13(8)20)15-18-11-6-5-9(14(16)17)7-12(11)19-15/h2-7,20H,1H3,(H3,16,17)(H,18,19)
InChIKeyQFGHSAAJZBLSSS-UHFFFAOYSA-N
XLogP2.53
TPSA98.78 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-hydroxy-3-(3-propan-2-ylphenyl)phenyl]-3H-benzimidazole-5-carboximidamide
CID 136601484
2-(3-methyl-2-pyridinyl)-3H-benzimidazole-5-carboximidamide
CID 153286644
2-(3-methyl-2-pyridinyl)-3H-benzimidazole-5-carboximidamide;dihydrochloride
CID 153286643
2-(6-chloro-1H-benzimidazol-2-yl)-6-methylphenol
CID 135988298
2-[4-(4-carbamimidoylphenyl)phenyl]-3H-benzimidazole-5-carboximidamide
CID 5327049
2-[5-(6-carbamimidoyl-1H-benzimidazol-2-yl)-1H-pyrrol-2-yl]-3H-benzimidazole-5-carboximidamide;ethanol
CID 139912797
2-(4-phenylphenyl)-3H-benzimidazole-5-carboximidamide
CID 15435186
2-(5-methylpyrazin-2-yl)-3H-benzimidazole-5-carboximidamide
CID 22125515
2-[5-(6-carbamimidoyl-1H-benzimidazol-2-yl)selenophen-2-yl]-3H-benzimidazole-5-carboximidamide;dihydrochloride
CID 146014497
2-[5-(4-carbamimidoylphenyl)-2-methoxyphenyl]-3H-benzimidazole-5-carboximidamide
CID 11280567
2-(5-carbamimidoylthiophen-2-yl)-3H-benzimidazole-5-carboximidamide
CID 137314301
2-[4-[[4-(6-carbamimidoyl-1H-benzimidazol-2-yl)phenyl]methyl]phenyl]-3H-benzimidazole-5-carboximidamide
CID 10227902

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-3-methylphenyl)-3H-benzimidazole-5-carboximidamide?
The IUPAC name of 2-(2-hydroxy-3-methylphenyl)-3H-benzimidazole-5-carboximidamide (CID 135501618) is 2-(2-hydroxy-3-methylphenyl)-3H-benzimidazole-5-carboximidamide.
What is the SMILES notation for 2-(2-hydroxy-3-methylphenyl)-3H-benzimidazole-5-carboximidamide?
The canonical SMILES for 2-(2-hydroxy-3-methylphenyl)-3H-benzimidazole-5-carboximidamide is [H]/N=C(\N)c1ccc2nc(-c3cccc(C)c3O)[nH]c2c1.
What is the InChIKey of 2-(2-hydroxy-3-methylphenyl)-3H-benzimidazole-5-carboximidamide?
The InChIKey is QFGHSAAJZBLSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-8-3-2-4-10(13(8)20)15-18-11-6-5-9(14(16)17)7-12(11)19-15/h2-7,20H,1H3,(H3,16,17)(H,18,19).
What are the key properties of 2-(2-hydroxy-3-methylphenyl)-3H-benzimidazole-5-carboximidamide?
2-(2-hydroxy-3-methylphenyl)-3H-benzimidazole-5-carboximidamide has a molecular weight of 266.30 g/mol, XLogP of 2.53, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-3-methylphenyl)-3H-benzimidazole-5-carboximidamide is sourced from PubChem (CID 135501618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).