2-[1-[3-(2-chloro-4-fluorophenyl)-4-fluorophenyl]benzimidazol-5-yl]propan-2-ol

C22H17ClF2N2O — CID 46205016

IUPAC2-[1-[3-(2-chloro-4-fluorophenyl)-4-fluorophenyl]benzimidazol-5-yl]propan-2-ol
SMILESCC(C)(O)c1ccc2c(c1)ncn2-c1ccc(F)c(-c2ccc(F)cc2Cl)c1
InChIInChI=1S/C22H17ClF2N2O/c1-22(2,28)13-3-8-21-20(9-13)26-12-27(21)15-5-7-19(25)17(11-15)16-6-4-14(24)10-18(16)23/h3-12,28H,1-2H3
InChIKeyLZPFSVBKIHFMOE-UHFFFAOYSA-N
MW398.84 g/mol
LogP5.85
Rot. Bonds3

About 2-[1-[3-(2-chloro-4-fluorophenyl)-4-fluorophenyl]benzimidazol-5-yl]propan-2-ol

2-[1-[3-(2-chloro-4-fluorophenyl)-4-fluorophenyl]benzimidazol-5-yl]propan-2-ol (PubChem CID 46205016) has the molecular formula C22H17ClF2N2O and a molecular weight of 398.84 g/mol. Its IUPAC name is 2-[1-[3-(2-chloro-4-fluorophenyl)-4-fluorophenyl]benzimidazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-[3-(2-chloro-4-fluorophenyl)-4-fluorophenyl]benzimidazol-5-yl]propan-2-ol
PubChem CID46205016
Molecular FormulaC22H17ClF2N2O
Molecular Weight398.84 g/mol
Exact Mass398.10
IUPAC Name2-[1-[3-(2-chloro-4-fluorophenyl)-4-fluorophenyl]benzimidazol-5-yl]propan-2-ol
SMILESCC(C)(O)c1ccc2c(c1)ncn2-c1ccc(F)c(-c2ccc(F)cc2Cl)c1
InChIInChI=1S/C22H17ClF2N2O/c1-22(2,28)13-3-8-21-20(9-13)26-12-27(21)15-5-7-19(25)17(11-15)16-6-4-14(24)10-18(16)23/h3-12,28H,1-2H3
InChIKeyLZPFSVBKIHFMOE-UHFFFAOYSA-N
XLogP5.85
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.84
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(2-chloro-4-fluorophenyl)-4-fluorophenyl]benzimidazol-5-yl]propan-2-ol?
The IUPAC name of 2-[1-[3-(2-chloro-4-fluorophenyl)-4-fluorophenyl]benzimidazol-5-yl]propan-2-ol (CID 46205016) is 2-[1-[3-(2-chloro-4-fluorophenyl)-4-fluorophenyl]benzimidazol-5-yl]propan-2-ol.
What is the SMILES notation for 2-[1-[3-(2-chloro-4-fluorophenyl)-4-fluorophenyl]benzimidazol-5-yl]propan-2-ol?
The canonical SMILES for 2-[1-[3-(2-chloro-4-fluorophenyl)-4-fluorophenyl]benzimidazol-5-yl]propan-2-ol is CC(C)(O)c1ccc2c(c1)ncn2-c1ccc(F)c(-c2ccc(F)cc2Cl)c1.
What is the InChIKey of 2-[1-[3-(2-chloro-4-fluorophenyl)-4-fluorophenyl]benzimidazol-5-yl]propan-2-ol?
The InChIKey is LZPFSVBKIHFMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClF2N2O/c1-22(2,28)13-3-8-21-20(9-13)26-12-27(21)15-5-7-19(25)17(11-15)16-6-4-14(24)10-18(16)23/h3-12,28H,1-2H3.
What are the key properties of 2-[1-[3-(2-chloro-4-fluorophenyl)-4-fluorophenyl]benzimidazol-5-yl]propan-2-ol?
2-[1-[3-(2-chloro-4-fluorophenyl)-4-fluorophenyl]benzimidazol-5-yl]propan-2-ol has a molecular weight of 398.84 g/mol, XLogP of 5.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(2-chloro-4-fluorophenyl)-4-fluorophenyl]benzimidazol-5-yl]propan-2-ol is sourced from PubChem (CID 46205016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).