2-[5-(1-cyclopropyl-5,6-difluorobenzimidazol-2-yl)-3-pyridinyl]propan-2-ol

C18H17F2N3O — CID 56645568

IUPAC2-[5-(1-cyclopropyl-5,6-difluorobenzimidazol-2-yl)-3-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1cncc(-c2nc3cc(F)c(F)cc3n2C2CC2)c1
InChIInChI=1S/C18H17F2N3O/c1-18(2,24)11-5-10(8-21-9-11)17-22-15-6-13(19)14(20)7-16(15)23(17)12-3-4-12/h5-9,12,24H,3-4H2,1-2H3
InChIKeyCAFMTLCLARMZDZ-UHFFFAOYSA-N
MW329.35 g/mol
LogP3.94
Rot. Bonds3

About 2-[5-(1-cyclopropyl-5,6-difluorobenzimidazol-2-yl)-3-pyridinyl]propan-2-ol

2-[5-(1-cyclopropyl-5,6-difluorobenzimidazol-2-yl)-3-pyridinyl]propan-2-ol (PubChem CID 56645568) has the molecular formula C18H17F2N3O and a molecular weight of 329.35 g/mol. Its IUPAC name is 2-[5-(1-cyclopropyl-5,6-difluorobenzimidazol-2-yl)-3-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[5-(1-cyclopropyl-5,6-difluorobenzimidazol-2-yl)-3-pyridinyl]propan-2-ol
PubChem CID56645568
Molecular FormulaC18H17F2N3O
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC Name2-[5-(1-cyclopropyl-5,6-difluorobenzimidazol-2-yl)-3-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1cncc(-c2nc3cc(F)c(F)cc3n2C2CC2)c1
InChIInChI=1S/C18H17F2N3O/c1-18(2,24)11-5-10(8-21-9-11)17-22-15-6-13(19)14(20)7-16(15)23(17)12-3-4-12/h5-9,12,24H,3-4H2,1-2H3
InChIKeyCAFMTLCLARMZDZ-UHFFFAOYSA-N
XLogP3.94
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(1-cyclopropyl-5,6-difluorobenzimidazol-2-yl)-3-pyridinyl]propan-2-ol?
The IUPAC name of 2-[5-(1-cyclopropyl-5,6-difluorobenzimidazol-2-yl)-3-pyridinyl]propan-2-ol (CID 56645568) is 2-[5-(1-cyclopropyl-5,6-difluorobenzimidazol-2-yl)-3-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[5-(1-cyclopropyl-5,6-difluorobenzimidazol-2-yl)-3-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[5-(1-cyclopropyl-5,6-difluorobenzimidazol-2-yl)-3-pyridinyl]propan-2-ol is CC(C)(O)c1cncc(-c2nc3cc(F)c(F)cc3n2C2CC2)c1.
What is the InChIKey of 2-[5-(1-cyclopropyl-5,6-difluorobenzimidazol-2-yl)-3-pyridinyl]propan-2-ol?
The InChIKey is CAFMTLCLARMZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3O/c1-18(2,24)11-5-10(8-21-9-11)17-22-15-6-13(19)14(20)7-16(15)23(17)12-3-4-12/h5-9,12,24H,3-4H2,1-2H3.
What are the key properties of 2-[5-(1-cyclopropyl-5,6-difluorobenzimidazol-2-yl)-3-pyridinyl]propan-2-ol?
2-[5-(1-cyclopropyl-5,6-difluorobenzimidazol-2-yl)-3-pyridinyl]propan-2-ol has a molecular weight of 329.35 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1-cyclopropyl-5,6-difluorobenzimidazol-2-yl)-3-pyridinyl]propan-2-ol is sourced from PubChem (CID 56645568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).