4-[2-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethyl]-3,5-dimethyl-1,2-oxazole

C18H21FN4O — CID 45202942

IUPAC4-[2-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethyl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1CCN1CCCC1c1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C18H21FN4O/c1-11-14(12(2)24-22-11)7-9-23-8-3-4-17(23)18-20-15-6-5-13(19)10-16(15)21-18/h5-6,10,17H,3-4,7-9H2,1-2H3,(H,20,21)
InChIKeyKLUUBMWYZSKGMG-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.69
Rot. Bonds4

About 4-[2-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethyl]-3,5-dimethyl-1,2-oxazole

4-[2-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethyl]-3,5-dimethyl-1,2-oxazole (PubChem CID 45202942) has the molecular formula C18H21FN4O and a molecular weight of 328.39 g/mol. Its IUPAC name is 4-[2-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethyl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[2-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethyl]-3,5-dimethyl-1,2-oxazole
PubChem CID45202942
Molecular FormulaC18H21FN4O
Molecular Weight328.39 g/mol
Exact Mass328.17
IUPAC Name4-[2-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethyl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1CCN1CCCC1c1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C18H21FN4O/c1-11-14(12(2)24-22-11)7-9-23-8-3-4-17(23)18-20-15-6-5-13(19)10-16(15)21-18/h5-6,10,17H,3-4,7-9H2,1-2H3,(H,20,21)
InChIKeyKLUUBMWYZSKGMG-UHFFFAOYSA-N
XLogP3.69
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethyl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[2-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethyl]-3,5-dimethyl-1,2-oxazole (CID 45202942) is 4-[2-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethyl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[2-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethyl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[2-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethyl]-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1CCN1CCCC1c1nc2ccc(F)cc2[nH]1.
What is the InChIKey of 4-[2-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethyl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is KLUUBMWYZSKGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O/c1-11-14(12(2)24-22-11)7-9-23-8-3-4-17(23)18-20-15-6-5-13(19)10-16(15)21-18/h5-6,10,17H,3-4,7-9H2,1-2H3,(H,20,21).
What are the key properties of 4-[2-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethyl]-3,5-dimethyl-1,2-oxazole?
4-[2-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethyl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 328.39 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethyl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 45202942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).