4-(6-amino-1H-benzimidazol-2-yl)phenol dichloride

C13H11Cl2N3O-2 — CID 135987130

IUPAC4-(6-amino-1H-benzimidazol-2-yl)phenol dichloride
SMILESNc1ccc2nc(-c3ccc(O)cc3)[nH]c2c1.[Cl-].[Cl-]
InChIInChI=1S/C13H11N3O.2ClH/c14-9-3-6-11-12(7-9)16-13(15-11)8-1-4-10(17)5-2-8;;/h1-7,17H,14H2,(H,15,16);2*1H/p-2
InChIKeyMUOWMKAIBARSMN-UHFFFAOYSA-L
MW296.16 g/mol
LogP-3.47
Rot. Bonds1

About 4-(6-amino-1H-benzimidazol-2-yl)phenol dichloride

4-(6-amino-1H-benzimidazol-2-yl)phenol dichloride (PubChem CID 135987130) has the molecular formula C13H11Cl2N3O-2 and a molecular weight of 296.16 g/mol. Its IUPAC name is 4-(6-amino-1H-benzimidazol-2-yl)phenol dichloride.

Molecular Properties

Compound Name4-(6-amino-1H-benzimidazol-2-yl)phenol dichloride
PubChem CID135987130
Molecular FormulaC13H11Cl2N3O-2
Molecular Weight296.16 g/mol
Exact Mass295.03
IUPAC Name4-(6-amino-1H-benzimidazol-2-yl)phenol dichloride
SMILESNc1ccc2nc(-c3ccc(O)cc3)[nH]c2c1.[Cl-].[Cl-]
InChIInChI=1S/C13H11N3O.2ClH/c14-9-3-6-11-12(7-9)16-13(15-11)8-1-4-10(17)5-2-8;;/h1-7,17H,14H2,(H,15,16);2*1H/p-2
InChIKeyMUOWMKAIBARSMN-UHFFFAOYSA-L
XLogP-3.47
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.16
LogP ≤ 5-3.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(6-amino-1H-benzimidazol-2-yl)phenol
CID 763218
2-[4-[4-(6-amino-1H-benzimidazol-2-yl)phenyl]phenyl]-3H-benzimidazol-5-amine
CID 3091495
4-(6-amino-1H-benzimidazol-2-yl)benzonitrile
CID 19921448
2-(4-aminophenyl)-3H-benzimidazol-5-amine;benzene-1,4-dicarboxamide
CID 174846726
4-(6-amino-1H-benzimidazol-2-yl)benzoic acid;dihydrochloride
CID 17385553
2-thiophen-3-yl-3H-benzimidazol-5-amine
CID 24692071
4-(6-fluoro-1H-benzimidazol-2-yl)aniline
CID 22387237
2-(4-hydroxyphenyl)-3H-benzimidazole-5-carboxylic acid
CID 162148176
methane;4-(6-methyl-1H-benzimidazol-2-yl)aniline
CID 159476815
2-(4-aminophenyl)-3H-benzimidazole-5-carboxylic acid
CID 774873
4-(5,6-difluoro-1H-benzimidazol-2-yl)phenol
CID 135927902
4-(6-hydroxy-1H-benzimidazol-2-yl)benzonitrile
CID 81431797

Frequently Asked Questions

What is the IUPAC name of 4-(6-amino-1H-benzimidazol-2-yl)phenol dichloride?
The IUPAC name of 4-(6-amino-1H-benzimidazol-2-yl)phenol dichloride (CID 135987130) is 4-(6-amino-1H-benzimidazol-2-yl)phenol dichloride.
What is the SMILES notation for 4-(6-amino-1H-benzimidazol-2-yl)phenol dichloride?
The canonical SMILES for 4-(6-amino-1H-benzimidazol-2-yl)phenol dichloride is Nc1ccc2nc(-c3ccc(O)cc3)[nH]c2c1.[Cl-].[Cl-].
What is the InChIKey of 4-(6-amino-1H-benzimidazol-2-yl)phenol dichloride?
The InChIKey is MUOWMKAIBARSMN-UHFFFAOYSA-L. The full InChI is InChI=1S/C13H11N3O.2ClH/c14-9-3-6-11-12(7-9)16-13(15-11)8-1-4-10(17)5-2-8;;/h1-7,17H,14H2,(H,15,16);2*1H/p-2.
What are the key properties of 4-(6-amino-1H-benzimidazol-2-yl)phenol dichloride?
4-(6-amino-1H-benzimidazol-2-yl)phenol dichloride has a molecular weight of 296.16 g/mol, XLogP of -3.47, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-amino-1H-benzimidazol-2-yl)phenol dichloride is sourced from PubChem (CID 135987130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).