2-(5-chloro-2-hydroxy-3-phenylphenyl)-3H-benzimidazole-5-carboximidamide

C20H15ClN4O — CID 135533257

IUPAC2-(5-chloro-2-hydroxy-3-phenylphenyl)-3H-benzimidazole-5-carboximidamide
SMILES[H]/N=C(\N)c1ccc2nc(-c3cc(Cl)cc(-c4ccccc4)c3O)[nH]c2c1
InChIInChI=1S/C20H15ClN4O/c21-13-9-14(11-4-2-1-3-5-11)18(26)15(10-13)20-24-16-7-6-12(19(22)23)8-17(16)25-20/h1-10,26H,(H3,22,23)(H,24,25)
InChIKeyRUJOXQDERXMGDN-UHFFFAOYSA-N
MW362.82 g/mol
LogP4.54
Rot. Bonds3

About 2-(5-chloro-2-hydroxy-3-phenylphenyl)-3H-benzimidazole-5-carboximidamide

2-(5-chloro-2-hydroxy-3-phenylphenyl)-3H-benzimidazole-5-carboximidamide (PubChem CID 135533257) has the molecular formula C20H15ClN4O and a molecular weight of 362.82 g/mol. Its IUPAC name is 2-(5-chloro-2-hydroxy-3-phenylphenyl)-3H-benzimidazole-5-carboximidamide.

Molecular Properties

Compound Name2-(5-chloro-2-hydroxy-3-phenylphenyl)-3H-benzimidazole-5-carboximidamide
PubChem CID135533257
Molecular FormulaC20H15ClN4O
Molecular Weight362.82 g/mol
Exact Mass362.09
IUPAC Name2-(5-chloro-2-hydroxy-3-phenylphenyl)-3H-benzimidazole-5-carboximidamide
SMILES[H]/N=C(\N)c1ccc2nc(-c3cc(Cl)cc(-c4ccccc4)c3O)[nH]c2c1
InChIInChI=1S/C20H15ClN4O/c21-13-9-14(11-4-2-1-3-5-11)18(26)15(10-13)20-24-16-7-6-12(19(22)23)8-17(16)25-20/h1-10,26H,(H3,22,23)(H,24,25)
InChIKeyRUJOXQDERXMGDN-UHFFFAOYSA-N
XLogP4.54
TPSA98.78 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.82
LogP ≤ 54.54
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-(5,6-Dimethyl-2-benzimidazolyl)phenol
CID 246546
2-(2'-Hydroxyphenyl)benzimidazole
CID 18075
2-(2-hydroxy-(1,1'-biphenyl)-3-yl)-1H-1,3-benzodiazole-5-carboximidamide
CID 1504
Cra_1144
CID 1506
Cra_10762
CID 447484
2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-5-(3,5-dichloro-2-hydroxyphenyl)-4-hydroxyphenyl]butanedioic acid
CID 135450153
2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-5-(5-chloro-2-hydroxyphenyl)-4-hydroxyphenyl]butanedioic acid
CID 135528469
({3-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-2-hydroxyphenyl]-4-hydroxyphenyl}methyl)urea
CID 135528873
2-{5-[amino(iminiumyl)methyl]-6-fluoro-1H-1,3-benzodiazol-2-yl}-6-phenylbenzen-1-olate
CID 135559082
2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-5-(3-chlorophenyl)-4-hydroxyphenyl]butanedioic acid
CID 135559111
2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-4-hydroxy-5-(2,3,5-trichlorophenyl)phenyl]butanedioic acid
CID 135559118
2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-5-(2,5-dichlorophenyl)-4-hydroxyphenyl]butanedioic acid
CID 135559119

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-hydroxy-3-phenylphenyl)-3H-benzimidazole-5-carboximidamide?
The IUPAC name of 2-(5-chloro-2-hydroxy-3-phenylphenyl)-3H-benzimidazole-5-carboximidamide (CID 135533257) is 2-(5-chloro-2-hydroxy-3-phenylphenyl)-3H-benzimidazole-5-carboximidamide.
What is the SMILES notation for 2-(5-chloro-2-hydroxy-3-phenylphenyl)-3H-benzimidazole-5-carboximidamide?
The canonical SMILES for 2-(5-chloro-2-hydroxy-3-phenylphenyl)-3H-benzimidazole-5-carboximidamide is [H]/N=C(\N)c1ccc2nc(-c3cc(Cl)cc(-c4ccccc4)c3O)[nH]c2c1.
What is the InChIKey of 2-(5-chloro-2-hydroxy-3-phenylphenyl)-3H-benzimidazole-5-carboximidamide?
The InChIKey is RUJOXQDERXMGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O/c21-13-9-14(11-4-2-1-3-5-11)18(26)15(10-13)20-24-16-7-6-12(19(22)23)8-17(16)25-20/h1-10,26H,(H3,22,23)(H,24,25).
What are the key properties of 2-(5-chloro-2-hydroxy-3-phenylphenyl)-3H-benzimidazole-5-carboximidamide?
2-(5-chloro-2-hydroxy-3-phenylphenyl)-3H-benzimidazole-5-carboximidamide has a molecular weight of 362.82 g/mol, XLogP of 4.54, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-hydroxy-3-phenylphenyl)-3H-benzimidazole-5-carboximidamide is sourced from PubChem (CID 135533257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).