2-[1-(3-bromo-4-fluorophenyl)-2,3-dihydrobenzimidazol-5-yl]propan-2-ol

C16H16BrFN2O — CID 67312645

IUPAC2-[1-(3-bromo-4-fluorophenyl)-2,3-dihydrobenzimidazol-5-yl]propan-2-ol
SMILESCC(C)(O)c1ccc2c(c1)NCN2c1ccc(F)c(Br)c1
InChIInChI=1S/C16H16BrFN2O/c1-16(2,21)10-3-6-15-14(7-10)19-9-20(15)11-4-5-13(18)12(17)8-11/h3-8,19,21H,9H2,1-2H3
InChIKeyBXNTZUYTIYJFRH-UHFFFAOYSA-N
MW351.22 g/mol
LogP4.34
Rot. Bonds2

About 2-[1-(3-bromo-4-fluorophenyl)-2,3-dihydrobenzimidazol-5-yl]propan-2-ol

2-[1-(3-bromo-4-fluorophenyl)-2,3-dihydrobenzimidazol-5-yl]propan-2-ol (PubChem CID 67312645) has the molecular formula C16H16BrFN2O and a molecular weight of 351.22 g/mol. Its IUPAC name is 2-[1-(3-bromo-4-fluorophenyl)-2,3-dihydrobenzimidazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-(3-bromo-4-fluorophenyl)-2,3-dihydrobenzimidazol-5-yl]propan-2-ol
PubChem CID67312645
Molecular FormulaC16H16BrFN2O
Molecular Weight351.22 g/mol
Exact Mass350.04
IUPAC Name2-[1-(3-bromo-4-fluorophenyl)-2,3-dihydrobenzimidazol-5-yl]propan-2-ol
SMILESCC(C)(O)c1ccc2c(c1)NCN2c1ccc(F)c(Br)c1
InChIInChI=1S/C16H16BrFN2O/c1-16(2,21)10-3-6-15-14(7-10)19-9-20(15)11-4-5-13(18)12(17)8-11/h3-8,19,21H,9H2,1-2H3
InChIKeyBXNTZUYTIYJFRH-UHFFFAOYSA-N
XLogP4.34
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.22
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-bromo-4-fluorophenyl)-2,3-dihydrobenzimidazol-5-yl]propan-2-ol?
The IUPAC name of 2-[1-(3-bromo-4-fluorophenyl)-2,3-dihydrobenzimidazol-5-yl]propan-2-ol (CID 67312645) is 2-[1-(3-bromo-4-fluorophenyl)-2,3-dihydrobenzimidazol-5-yl]propan-2-ol.
What is the SMILES notation for 2-[1-(3-bromo-4-fluorophenyl)-2,3-dihydrobenzimidazol-5-yl]propan-2-ol?
The canonical SMILES for 2-[1-(3-bromo-4-fluorophenyl)-2,3-dihydrobenzimidazol-5-yl]propan-2-ol is CC(C)(O)c1ccc2c(c1)NCN2c1ccc(F)c(Br)c1.
What is the InChIKey of 2-[1-(3-bromo-4-fluorophenyl)-2,3-dihydrobenzimidazol-5-yl]propan-2-ol?
The InChIKey is BXNTZUYTIYJFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFN2O/c1-16(2,21)10-3-6-15-14(7-10)19-9-20(15)11-4-5-13(18)12(17)8-11/h3-8,19,21H,9H2,1-2H3.
What are the key properties of 2-[1-(3-bromo-4-fluorophenyl)-2,3-dihydrobenzimidazol-5-yl]propan-2-ol?
2-[1-(3-bromo-4-fluorophenyl)-2,3-dihydrobenzimidazol-5-yl]propan-2-ol has a molecular weight of 351.22 g/mol, XLogP of 4.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-bromo-4-fluorophenyl)-2,3-dihydrobenzimidazol-5-yl]propan-2-ol is sourced from PubChem (CID 67312645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).