3-(2-chlorobenzimidazol-1-yl)phenol

C13H9ClN2O — CID 84802691

IUPAC3-(2-chlorobenzimidazol-1-yl)phenol
SMILESOc1cccc(-n2c(Cl)nc3ccccc32)c1
InChIInChI=1S/C13H9ClN2O/c14-13-15-11-6-1-2-7-12(11)16(13)9-4-3-5-10(17)8-9/h1-8,17H
InChIKeySIAMKCRYXYSHJW-UHFFFAOYSA-N
MW244.68 g/mol
LogP3.38
Rot. Bonds1

About 3-(2-chlorobenzimidazol-1-yl)phenol

3-(2-chlorobenzimidazol-1-yl)phenol (PubChem CID 84802691) has the molecular formula C13H9ClN2O and a molecular weight of 244.68 g/mol. Its IUPAC name is 3-(2-chlorobenzimidazol-1-yl)phenol.

Molecular Properties

Compound Name3-(2-chlorobenzimidazol-1-yl)phenol
PubChem CID84802691
Molecular FormulaC13H9ClN2O
Molecular Weight244.68 g/mol
Exact Mass244.04
IUPAC Name3-(2-chlorobenzimidazol-1-yl)phenol
SMILESOc1cccc(-n2c(Cl)nc3ccccc32)c1
InChIInChI=1S/C13H9ClN2O/c14-13-15-11-6-1-2-7-12(11)16(13)9-4-3-5-10(17)8-9/h1-8,17H
InChIKeySIAMKCRYXYSHJW-UHFFFAOYSA-N
XLogP3.38
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-1-phenylbenzimidazole
CID 12675133
1-(4-bromo-3-fluorophenyl)-2-chlorobenzimidazole
CID 146004053
3-(2-phenylimidazo[1,2-a]benzimidazol-3-yl)phenol
CID 4842961
4-(2-chlorobenzimidazol-1-yl)benzonitrile
CID 68907266
2-(1-chloroethyl)-1-(3-chlorophenyl)benzimidazole
CID 43666718
3-(2-amino-5-methylbenzimidazol-1-yl)phenol
CID 84799591
2,8,14,20,26-pentakis-phenyl-32-(1-phenylbenzimidazol-2-yl)-2,8,14,20,26,32-hexazaheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3,5,7(42),9,11,13(41),15(40),16,18,21(39),22,24,27(38),28,30,33,35-octadecaene
CID 123675811
3-(3,5-dimethyl-1,2,4-triazol-4-yl)phenol
CID 58393454
4-chloro-1-(3-methoxyphenyl)-2-methylbenzimidazole;3-(4-chloro-2-methylbenzimidazol-1-yl)phenol
CID 157392946
1-phenyl-2-(1-phenylbenzimidazol-2-yl)benzimidazole
CID 44622931
3-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenol
CID 134564052
3-(3-hydroxyphenyl)-2-(4-methylphenyl)quinazolin-4-one
CID 717898

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorobenzimidazol-1-yl)phenol?
The IUPAC name of 3-(2-chlorobenzimidazol-1-yl)phenol (CID 84802691) is 3-(2-chlorobenzimidazol-1-yl)phenol.
What is the SMILES notation for 3-(2-chlorobenzimidazol-1-yl)phenol?
The canonical SMILES for 3-(2-chlorobenzimidazol-1-yl)phenol is Oc1cccc(-n2c(Cl)nc3ccccc32)c1.
What is the InChIKey of 3-(2-chlorobenzimidazol-1-yl)phenol?
The InChIKey is SIAMKCRYXYSHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O/c14-13-15-11-6-1-2-7-12(11)16(13)9-4-3-5-10(17)8-9/h1-8,17H.
What are the key properties of 3-(2-chlorobenzimidazol-1-yl)phenol?
3-(2-chlorobenzimidazol-1-yl)phenol has a molecular weight of 244.68 g/mol, XLogP of 3.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorobenzimidazol-1-yl)phenol is sourced from PubChem (CID 84802691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).