2-[1-(3-fluoropropyl)-2-methylbenzimidazol-5-yl]-1,3-benzoxazole

C18H16FN3O — CID 90392185

IUPAC2-[1-(3-fluoropropyl)-2-methylbenzimidazol-5-yl]-1,3-benzoxazole
SMILESCc1nc2cc(-c3nc4ccccc4o3)ccc2n1CCCF
InChIInChI=1S/C18H16FN3O/c1-12-20-15-11-13(7-8-16(15)22(12)10-4-9-19)18-21-14-5-2-3-6-17(14)23-18/h2-3,5-8,11H,4,9-10H2,1H3
InChIKeyNCZBQDHZPCHHJL-UHFFFAOYSA-N
MW309.34 g/mol
LogP4.51
Rot. Bonds4

About 2-[1-(3-fluoropropyl)-2-methylbenzimidazol-5-yl]-1,3-benzoxazole

2-[1-(3-fluoropropyl)-2-methylbenzimidazol-5-yl]-1,3-benzoxazole (PubChem CID 90392185) has the molecular formula C18H16FN3O and a molecular weight of 309.34 g/mol. Its IUPAC name is 2-[1-(3-fluoropropyl)-2-methylbenzimidazol-5-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[1-(3-fluoropropyl)-2-methylbenzimidazol-5-yl]-1,3-benzoxazole
PubChem CID90392185
Molecular FormulaC18H16FN3O
Molecular Weight309.34 g/mol
Exact Mass309.13
IUPAC Name2-[1-(3-fluoropropyl)-2-methylbenzimidazol-5-yl]-1,3-benzoxazole
SMILESCc1nc2cc(-c3nc4ccccc4o3)ccc2n1CCCF
InChIInChI=1S/C18H16FN3O/c1-12-20-15-11-13(7-8-16(15)22(12)10-4-9-19)18-21-14-5-2-3-6-17(14)23-18/h2-3,5-8,11H,4,9-10H2,1H3
InChIKeyNCZBQDHZPCHHJL-UHFFFAOYSA-N
XLogP4.51
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-fluoropropyl)-2-methylbenzimidazol-5-yl]-1,3-benzoxazole?
The IUPAC name of 2-[1-(3-fluoropropyl)-2-methylbenzimidazol-5-yl]-1,3-benzoxazole (CID 90392185) is 2-[1-(3-fluoropropyl)-2-methylbenzimidazol-5-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-[1-(3-fluoropropyl)-2-methylbenzimidazol-5-yl]-1,3-benzoxazole?
The canonical SMILES for 2-[1-(3-fluoropropyl)-2-methylbenzimidazol-5-yl]-1,3-benzoxazole is Cc1nc2cc(-c3nc4ccccc4o3)ccc2n1CCCF.
What is the InChIKey of 2-[1-(3-fluoropropyl)-2-methylbenzimidazol-5-yl]-1,3-benzoxazole?
The InChIKey is NCZBQDHZPCHHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O/c1-12-20-15-11-13(7-8-16(15)22(12)10-4-9-19)18-21-14-5-2-3-6-17(14)23-18/h2-3,5-8,11H,4,9-10H2,1H3.
What are the key properties of 2-[1-(3-fluoropropyl)-2-methylbenzimidazol-5-yl]-1,3-benzoxazole?
2-[1-(3-fluoropropyl)-2-methylbenzimidazol-5-yl]-1,3-benzoxazole has a molecular weight of 309.34 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-fluoropropyl)-2-methylbenzimidazol-5-yl]-1,3-benzoxazole is sourced from PubChem (CID 90392185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).