2-[1-[6-(2-chloro-4-fluorophenyl)-2-pyridinyl]benzimidazol-5-yl]propan-2-ol

C21H17ClFN3O — CID 46206350

IUPAC2-[1-[6-(2-chloro-4-fluorophenyl)-2-pyridinyl]benzimidazol-5-yl]propan-2-ol
SMILESCC(C)(O)c1ccc2c(c1)ncn2-c1cccc(-c2ccc(F)cc2Cl)n1
InChIInChI=1S/C21H17ClFN3O/c1-21(2,27)13-6-9-19-18(10-13)24-12-26(19)20-5-3-4-17(25-20)15-8-7-14(23)11-16(15)22/h3-12,27H,1-2H3
InChIKeyRNDOGLDURCMSAJ-UHFFFAOYSA-N
MW381.84 g/mol
LogP5.11
Rot. Bonds3

About 2-[1-[6-(2-chloro-4-fluorophenyl)-2-pyridinyl]benzimidazol-5-yl]propan-2-ol

2-[1-[6-(2-chloro-4-fluorophenyl)-2-pyridinyl]benzimidazol-5-yl]propan-2-ol (PubChem CID 46206350) has the molecular formula C21H17ClFN3O and a molecular weight of 381.84 g/mol. Its IUPAC name is 2-[1-[6-(2-chloro-4-fluorophenyl)-2-pyridinyl]benzimidazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-[6-(2-chloro-4-fluorophenyl)-2-pyridinyl]benzimidazol-5-yl]propan-2-ol
PubChem CID46206350
Molecular FormulaC21H17ClFN3O
Molecular Weight381.84 g/mol
Exact Mass381.10
IUPAC Name2-[1-[6-(2-chloro-4-fluorophenyl)-2-pyridinyl]benzimidazol-5-yl]propan-2-ol
SMILESCC(C)(O)c1ccc2c(c1)ncn2-c1cccc(-c2ccc(F)cc2Cl)n1
InChIInChI=1S/C21H17ClFN3O/c1-21(2,27)13-6-9-19-18(10-13)24-12-26(19)20-5-3-4-17(25-20)15-8-7-14(23)11-16(15)22/h3-12,27H,1-2H3
InChIKeyRNDOGLDURCMSAJ-UHFFFAOYSA-N
XLogP5.11
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.84
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[6-(2-chloro-4-fluorophenyl)-2-pyridinyl]benzimidazol-5-yl]propan-2-ol?
The IUPAC name of 2-[1-[6-(2-chloro-4-fluorophenyl)-2-pyridinyl]benzimidazol-5-yl]propan-2-ol (CID 46206350) is 2-[1-[6-(2-chloro-4-fluorophenyl)-2-pyridinyl]benzimidazol-5-yl]propan-2-ol.
What is the SMILES notation for 2-[1-[6-(2-chloro-4-fluorophenyl)-2-pyridinyl]benzimidazol-5-yl]propan-2-ol?
The canonical SMILES for 2-[1-[6-(2-chloro-4-fluorophenyl)-2-pyridinyl]benzimidazol-5-yl]propan-2-ol is CC(C)(O)c1ccc2c(c1)ncn2-c1cccc(-c2ccc(F)cc2Cl)n1.
What is the InChIKey of 2-[1-[6-(2-chloro-4-fluorophenyl)-2-pyridinyl]benzimidazol-5-yl]propan-2-ol?
The InChIKey is RNDOGLDURCMSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClFN3O/c1-21(2,27)13-6-9-19-18(10-13)24-12-26(19)20-5-3-4-17(25-20)15-8-7-14(23)11-16(15)22/h3-12,27H,1-2H3.
What are the key properties of 2-[1-[6-(2-chloro-4-fluorophenyl)-2-pyridinyl]benzimidazol-5-yl]propan-2-ol?
2-[1-[6-(2-chloro-4-fluorophenyl)-2-pyridinyl]benzimidazol-5-yl]propan-2-ol has a molecular weight of 381.84 g/mol, XLogP of 5.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[6-(2-chloro-4-fluorophenyl)-2-pyridinyl]benzimidazol-5-yl]propan-2-ol is sourced from PubChem (CID 46206350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).