5-chloro-2-(6-chloro-1-ethylbenzimidazol-2-yl)phenol

C15H12Cl2N2O — CID 136968059

IUPAC5-chloro-2-(6-chloro-1-ethylbenzimidazol-2-yl)phenol
SMILESCCn1c(-c2ccc(Cl)cc2O)nc2ccc(Cl)cc21
InChIInChI=1S/C15H12Cl2N2O/c1-2-19-13-7-9(16)4-6-12(13)18-15(19)11-5-3-10(17)8-14(11)20/h3-8,20H,2H2,1H3
InChIKeyBYRQKXHXENQUCU-UHFFFAOYSA-N
MW307.18 g/mol
LogP4.74
Rot. Bonds2

About 5-chloro-2-(6-chloro-1-ethylbenzimidazol-2-yl)phenol

5-chloro-2-(6-chloro-1-ethylbenzimidazol-2-yl)phenol (PubChem CID 136968059) has the molecular formula C15H12Cl2N2O and a molecular weight of 307.18 g/mol. Its IUPAC name is 5-chloro-2-(6-chloro-1-ethylbenzimidazol-2-yl)phenol.

Molecular Properties

Compound Name5-chloro-2-(6-chloro-1-ethylbenzimidazol-2-yl)phenol
PubChem CID136968059
Molecular FormulaC15H12Cl2N2O
Molecular Weight307.18 g/mol
Exact Mass306.03
IUPAC Name5-chloro-2-(6-chloro-1-ethylbenzimidazol-2-yl)phenol
SMILESCCn1c(-c2ccc(Cl)cc2O)nc2ccc(Cl)cc21
InChIInChI=1S/C15H12Cl2N2O/c1-2-19-13-7-9(16)4-6-12(13)18-15(19)11-5-3-10(17)8-14(11)20/h3-8,20H,2H2,1H3
InChIKeyBYRQKXHXENQUCU-UHFFFAOYSA-N
XLogP4.74
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.18
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(6-chloro-1-ethylbenzimidazol-2-yl)-2,4-difluoroaniline
CID 115472738
[4-(6-chloro-1-ethylbenzimidazol-2-yl)phenyl]methanamine
CID 115472637
2-(5-chloro-1-ethylbenzimidazol-2-yl)benzene-1,3-diol
CID 136813261
2-(6-chloro-1-methylbenzimidazol-2-yl)phenol
CID 137002817
4-(6-chloro-1-propylbenzimidazol-2-yl)benzene-1,2-diol
CID 136885662
3-chloro-4-(5-chloro-1-ethylbenzimidazol-2-yl)aniline
CID 61399151
3-(1-ethyl-6-fluorobenzimidazol-2-yl)benzene-1,2-diol
CID 136928271
5-chloro-2-(1-ethyl-5-methylbenzimidazol-2-yl)aniline
CID 60785305
6-chloro-2-[(4-chlorophenyl)methyl]-1-ethylbenzimidazole
CID 46310462
1-(6-chloro-1-ethylbenzimidazol-2-yl)-N-methylmethanamine
CID 46310511
4-(1-ethylbenzimidazol-2-yl)-3-methylphenol
CID 136750847
4-chloro-3-(5-chloro-1-ethylbenzimidazol-2-yl)aniline
CID 60861711

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(6-chloro-1-ethylbenzimidazol-2-yl)phenol?
The IUPAC name of 5-chloro-2-(6-chloro-1-ethylbenzimidazol-2-yl)phenol (CID 136968059) is 5-chloro-2-(6-chloro-1-ethylbenzimidazol-2-yl)phenol.
What is the SMILES notation for 5-chloro-2-(6-chloro-1-ethylbenzimidazol-2-yl)phenol?
The canonical SMILES for 5-chloro-2-(6-chloro-1-ethylbenzimidazol-2-yl)phenol is CCn1c(-c2ccc(Cl)cc2O)nc2ccc(Cl)cc21.
What is the InChIKey of 5-chloro-2-(6-chloro-1-ethylbenzimidazol-2-yl)phenol?
The InChIKey is BYRQKXHXENQUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O/c1-2-19-13-7-9(16)4-6-12(13)18-15(19)11-5-3-10(17)8-14(11)20/h3-8,20H,2H2,1H3.
What are the key properties of 5-chloro-2-(6-chloro-1-ethylbenzimidazol-2-yl)phenol?
5-chloro-2-(6-chloro-1-ethylbenzimidazol-2-yl)phenol has a molecular weight of 307.18 g/mol, XLogP of 4.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(6-chloro-1-ethylbenzimidazol-2-yl)phenol is sourced from PubChem (CID 136968059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).