2-[4-(5,6-dichlorobenzimidazol-1-yl)anilino]ethanol

C15H13Cl2N3O — CID 71242846

IUPAC2-[4-(5,6-dichlorobenzimidazol-1-yl)anilino]ethanol
SMILESOCCNc1ccc(-n2cnc3cc(Cl)c(Cl)cc32)cc1
InChIInChI=1S/C15H13Cl2N3O/c16-12-7-14-15(8-13(12)17)20(9-19-14)11-3-1-10(2-4-11)18-5-6-21/h1-4,7-9,18,21H,5-6H2
InChIKeyMYKMHJOPAAKIQF-UHFFFAOYSA-N
MW322.20 g/mol
LogP3.74
Rot. Bonds4

About 2-[4-(5,6-dichlorobenzimidazol-1-yl)anilino]ethanol

2-[4-(5,6-dichlorobenzimidazol-1-yl)anilino]ethanol (PubChem CID 71242846) has the molecular formula C15H13Cl2N3O and a molecular weight of 322.20 g/mol. Its IUPAC name is 2-[4-(5,6-dichlorobenzimidazol-1-yl)anilino]ethanol.

Molecular Properties

Compound Name2-[4-(5,6-dichlorobenzimidazol-1-yl)anilino]ethanol
PubChem CID71242846
Molecular FormulaC15H13Cl2N3O
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC Name2-[4-(5,6-dichlorobenzimidazol-1-yl)anilino]ethanol
SMILESOCCNc1ccc(-n2cnc3cc(Cl)c(Cl)cc32)cc1
InChIInChI=1S/C15H13Cl2N3O/c16-12-7-14-15(8-13(12)17)20(9-19-14)11-3-1-10(2-4-11)18-5-6-21/h1-4,7-9,18,21H,5-6H2
InChIKeyMYKMHJOPAAKIQF-UHFFFAOYSA-N
XLogP3.74
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[2-(5,6-difluorobenzimidazol-1-yl)ethyl]aniline
CID 62564267
2-[(5-chloro-3-phenylimidazol-4-yl)amino]ethanol
CID 69424393
2-[(6-chloro-3-pyridinyl)amino]ethanol
CID 118956304
6-(3,4-dichloroanilino)hexan-1-ol
CID 103801947
2-[1-[3-(6-chloro-2-fluoro-3-methylphenyl)phenyl]benzimidazol-5-yl]propan-2-ol
CID 67152290
6-fluoro-3-(4-fluorophenyl)benzimidazole-5-carboxylic acid
CID 143868897
2-(4-amino-3-chloroanilino)ethanol
CID 54315994
6-(2-chloro-4-fluorophenyl)-1-[4-(difluoromethoxy)phenyl]imidazo[4,5-c]pyridine
CID 164616042
1-(4-ethylphenyl)-N-[(4-propan-2-ylphenyl)methyl]benzimidazol-5-amine
CID 66793952
N-[4-(benzimidazol-1-yl)phenyl]-2-chloro-5-methylsulfonylbenzamide
CID 78803455
3-chloro-1-(3,4-dichlorophenyl)-4-(2-hydroxyethylamino)pyrrole-2,5-dione
CID 52941814
2-anilinoethanol;dichlorocopper
CID 174762840

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5,6-dichlorobenzimidazol-1-yl)anilino]ethanol?
The IUPAC name of 2-[4-(5,6-dichlorobenzimidazol-1-yl)anilino]ethanol (CID 71242846) is 2-[4-(5,6-dichlorobenzimidazol-1-yl)anilino]ethanol.
What is the SMILES notation for 2-[4-(5,6-dichlorobenzimidazol-1-yl)anilino]ethanol?
The canonical SMILES for 2-[4-(5,6-dichlorobenzimidazol-1-yl)anilino]ethanol is OCCNc1ccc(-n2cnc3cc(Cl)c(Cl)cc32)cc1.
What is the InChIKey of 2-[4-(5,6-dichlorobenzimidazol-1-yl)anilino]ethanol?
The InChIKey is MYKMHJOPAAKIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3O/c16-12-7-14-15(8-13(12)17)20(9-19-14)11-3-1-10(2-4-11)18-5-6-21/h1-4,7-9,18,21H,5-6H2.
What are the key properties of 2-[4-(5,6-dichlorobenzimidazol-1-yl)anilino]ethanol?
2-[4-(5,6-dichlorobenzimidazol-1-yl)anilino]ethanol has a molecular weight of 322.20 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5,6-dichlorobenzimidazol-1-yl)anilino]ethanol is sourced from PubChem (CID 71242846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).