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

C18H18FN3O — CID 56645363

IUPAC2-[5-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-3-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1cncc(-c2nc3ccc(F)cc3n2C2CC2)c1
InChIInChI=1S/C18H18FN3O/c1-18(2,23)12-7-11(9-20-10-12)17-21-15-6-3-13(19)8-16(15)22(17)14-4-5-14/h3,6-10,14,23H,4-5H2,1-2H3
InChIKeyOAMLIJKKGZLNHE-UHFFFAOYSA-N
MW311.36 g/mol
LogP3.80
Rot. Bonds3

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

2-[5-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-3-pyridinyl]propan-2-ol (PubChem CID 56645363) has the molecular formula C18H18FN3O and a molecular weight of 311.36 g/mol. Its IUPAC name is 2-[5-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-3-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[5-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-3-pyridinyl]propan-2-ol
PubChem CID56645363
Molecular FormulaC18H18FN3O
Molecular Weight311.36 g/mol
Exact Mass311.14
IUPAC Name2-[5-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-3-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1cncc(-c2nc3ccc(F)cc3n2C2CC2)c1
InChIInChI=1S/C18H18FN3O/c1-18(2,23)12-7-11(9-20-10-12)17-21-15-6-3-13(19)8-16(15)22(17)14-4-5-14/h3,6-10,14,23H,4-5H2,1-2H3
InChIKeyOAMLIJKKGZLNHE-UHFFFAOYSA-N
XLogP3.80
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 53.80
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-6-fluorobenzimidazol-2-yl)-3-pyridinyl]propan-2-ol?
The IUPAC name of 2-[5-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-3-pyridinyl]propan-2-ol (CID 56645363) is 2-[5-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-3-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[5-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-3-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[5-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-3-pyridinyl]propan-2-ol is CC(C)(O)c1cncc(-c2nc3ccc(F)cc3n2C2CC2)c1.
What is the InChIKey of 2-[5-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-3-pyridinyl]propan-2-ol?
The InChIKey is OAMLIJKKGZLNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O/c1-18(2,23)12-7-11(9-20-10-12)17-21-15-6-3-13(19)8-16(15)22(17)14-4-5-14/h3,6-10,14,23H,4-5H2,1-2H3.
What are the key properties of 2-[5-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-3-pyridinyl]propan-2-ol?
2-[5-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-3-pyridinyl]propan-2-ol has a molecular weight of 311.36 g/mol, XLogP of 3.80, 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-6-fluorobenzimidazol-2-yl)-3-pyridinyl]propan-2-ol is sourced from PubChem (CID 56645363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).