2-[1-[3-(6-chloro-2-fluoro-3-methylphenyl)phenyl]benzimidazol-5-yl]propan-2-ol

C23H20ClFN2O — CID 67152290

IUPAC2-[1-[3-(6-chloro-2-fluoro-3-methylphenyl)phenyl]benzimidazol-5-yl]propan-2-ol
SMILESCc1ccc(Cl)c(-c2cccc(-n3cnc4cc(C(C)(C)O)ccc43)c2)c1F
InChIInChI=1S/C23H20ClFN2O/c1-14-7-9-18(24)21(22(14)25)15-5-4-6-17(11-15)27-13-26-19-12-16(23(2,3)28)8-10-20(19)27/h4-13,28H,1-3H3
InChIKeyJHSHMWGYHXNHDM-UHFFFAOYSA-N
MW394.88 g/mol
LogP6.02
Rot. Bonds3

About 2-[1-[3-(6-chloro-2-fluoro-3-methylphenyl)phenyl]benzimidazol-5-yl]propan-2-ol

2-[1-[3-(6-chloro-2-fluoro-3-methylphenyl)phenyl]benzimidazol-5-yl]propan-2-ol (PubChem CID 67152290) has the molecular formula C23H20ClFN2O and a molecular weight of 394.88 g/mol. Its IUPAC name is 2-[1-[3-(6-chloro-2-fluoro-3-methylphenyl)phenyl]benzimidazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-[3-(6-chloro-2-fluoro-3-methylphenyl)phenyl]benzimidazol-5-yl]propan-2-ol
PubChem CID67152290
Molecular FormulaC23H20ClFN2O
Molecular Weight394.88 g/mol
Exact Mass394.12
IUPAC Name2-[1-[3-(6-chloro-2-fluoro-3-methylphenyl)phenyl]benzimidazol-5-yl]propan-2-ol
SMILESCc1ccc(Cl)c(-c2cccc(-n3cnc4cc(C(C)(C)O)ccc43)c2)c1F
InChIInChI=1S/C23H20ClFN2O/c1-14-7-9-18(24)21(22(14)25)15-5-4-6-17(11-15)27-13-26-19-12-16(23(2,3)28)8-10-20(19)27/h4-13,28H,1-3H3
InChIKeyJHSHMWGYHXNHDM-UHFFFAOYSA-N
XLogP6.02
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.88
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(6-chloro-2-fluoro-3-methylphenyl)phenyl]benzimidazol-5-yl]propan-2-ol?
The IUPAC name of 2-[1-[3-(6-chloro-2-fluoro-3-methylphenyl)phenyl]benzimidazol-5-yl]propan-2-ol (CID 67152290) is 2-[1-[3-(6-chloro-2-fluoro-3-methylphenyl)phenyl]benzimidazol-5-yl]propan-2-ol.
What is the SMILES notation for 2-[1-[3-(6-chloro-2-fluoro-3-methylphenyl)phenyl]benzimidazol-5-yl]propan-2-ol?
The canonical SMILES for 2-[1-[3-(6-chloro-2-fluoro-3-methylphenyl)phenyl]benzimidazol-5-yl]propan-2-ol is Cc1ccc(Cl)c(-c2cccc(-n3cnc4cc(C(C)(C)O)ccc43)c2)c1F.
What is the InChIKey of 2-[1-[3-(6-chloro-2-fluoro-3-methylphenyl)phenyl]benzimidazol-5-yl]propan-2-ol?
The InChIKey is JHSHMWGYHXNHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClFN2O/c1-14-7-9-18(24)21(22(14)25)15-5-4-6-17(11-15)27-13-26-19-12-16(23(2,3)28)8-10-20(19)27/h4-13,28H,1-3H3.
What are the key properties of 2-[1-[3-(6-chloro-2-fluoro-3-methylphenyl)phenyl]benzimidazol-5-yl]propan-2-ol?
2-[1-[3-(6-chloro-2-fluoro-3-methylphenyl)phenyl]benzimidazol-5-yl]propan-2-ol has a molecular weight of 394.88 g/mol, XLogP of 6.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(6-chloro-2-fluoro-3-methylphenyl)phenyl]benzimidazol-5-yl]propan-2-ol is sourced from PubChem (CID 67152290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).