4-(6-chloro-1-methylbenzimidazol-2-yl)-3-fluorophenol

C14H10ClFN2O — CID 136751620

IUPAC4-(6-chloro-1-methylbenzimidazol-2-yl)-3-fluorophenol
SMILESCn1c(-c2ccc(O)cc2F)nc2ccc(Cl)cc21
InChIInChI=1S/C14H10ClFN2O/c1-18-13-6-8(15)2-5-12(13)17-14(18)10-4-3-9(19)7-11(10)16/h2-7,19H,1H3
InChIKeyRMPTVWQROLBVJB-UHFFFAOYSA-N
MW276.70 g/mol
LogP3.74
Rot. Bonds1

About 4-(6-chloro-1-methylbenzimidazol-2-yl)-3-fluorophenol

4-(6-chloro-1-methylbenzimidazol-2-yl)-3-fluorophenol (PubChem CID 136751620) has the molecular formula C14H10ClFN2O and a molecular weight of 276.70 g/mol. Its IUPAC name is 4-(6-chloro-1-methylbenzimidazol-2-yl)-3-fluorophenol.

Molecular Properties

Compound Name4-(6-chloro-1-methylbenzimidazol-2-yl)-3-fluorophenol
PubChem CID136751620
Molecular FormulaC14H10ClFN2O
Molecular Weight276.70 g/mol
Exact Mass276.05
IUPAC Name4-(6-chloro-1-methylbenzimidazol-2-yl)-3-fluorophenol
SMILESCn1c(-c2ccc(O)cc2F)nc2ccc(Cl)cc21
InChIInChI=1S/C14H10ClFN2O/c1-18-13-6-8(15)2-5-12(13)17-14(18)10-4-3-9(19)7-11(10)16/h2-7,19H,1H3
InChIKeyRMPTVWQROLBVJB-UHFFFAOYSA-N
XLogP3.74
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.70
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(6-chloro-1-methylbenzimidazol-2-yl)-2,5,6-trifluorophenol
CID 115473390
2-(6-chloro-1-methylbenzimidazol-2-yl)phenol
CID 137002817
2-chloro-6-(6-chloro-1-methylbenzimidazol-2-yl)aniline
CID 107050019
6-chloro-1-methyl-2-phenylbenzimidazole
CID 12738431
3-fluoro-4-(1-propan-2-ylbenzimidazol-2-yl)phenol
CID 136751548
3-methyl-2-(4-methylphenyl)benzimidazol-5-ol
CID 84700718
4-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)-3-fluoroaniline
CID 107793667
5-chloro-2-(6-chloro-1-ethylbenzimidazol-2-yl)phenol
CID 136968059
6-chloro-1-methyl-2-(trifluoromethyl)benzimidazole
CID 10331616
5-chloro-2-(5-chloro-1-methylbenzimidazol-2-yl)aniline
CID 60785031
6-chloro-1-methylbenzimidazole-2-carboxylic acid
CID 83868060
6-chloro-1-methyl-2-(trichloromethyl)benzimidazole
CID 131628985

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-1-methylbenzimidazol-2-yl)-3-fluorophenol?
The IUPAC name of 4-(6-chloro-1-methylbenzimidazol-2-yl)-3-fluorophenol (CID 136751620) is 4-(6-chloro-1-methylbenzimidazol-2-yl)-3-fluorophenol.
What is the SMILES notation for 4-(6-chloro-1-methylbenzimidazol-2-yl)-3-fluorophenol?
The canonical SMILES for 4-(6-chloro-1-methylbenzimidazol-2-yl)-3-fluorophenol is Cn1c(-c2ccc(O)cc2F)nc2ccc(Cl)cc21.
What is the InChIKey of 4-(6-chloro-1-methylbenzimidazol-2-yl)-3-fluorophenol?
The InChIKey is RMPTVWQROLBVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2O/c1-18-13-6-8(15)2-5-12(13)17-14(18)10-4-3-9(19)7-11(10)16/h2-7,19H,1H3.
What are the key properties of 4-(6-chloro-1-methylbenzimidazol-2-yl)-3-fluorophenol?
4-(6-chloro-1-methylbenzimidazol-2-yl)-3-fluorophenol has a molecular weight of 276.70 g/mol, XLogP of 3.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-1-methylbenzimidazol-2-yl)-3-fluorophenol is sourced from PubChem (CID 136751620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).