4-(3-fluorophenyl)-N-[(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]oxane-4-carboxamide

C24H28FN3O2 — CID 92614078

IUPAC4-(3-fluorophenyl)-N-[(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]oxane-4-carboxamide
SMILESCC(C)n1c([C@@H](C)NC(=O)C2(c3cccc(F)c3)CCOCC2)nc2ccccc21
InChIInChI=1S/C24H28FN3O2/c1-16(2)28-21-10-5-4-9-20(21)27-22(28)17(3)26-23(29)24(11-13-30-14-12-24)18-7-6-8-19(25)15-18/h4-10,15-17H,11-14H2,1-3H3,(H,26,29)/t17-/m1/s1
InChIKeyDAYKRDVHETVQGC-QGZVFWFLSA-N
MW409.51 g/mol
LogP4.68
Rot. Bonds5

About 4-(3-fluorophenyl)-N-[(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]oxane-4-carboxamide

4-(3-fluorophenyl)-N-[(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]oxane-4-carboxamide (PubChem CID 92614078) has the molecular formula C24H28FN3O2 and a molecular weight of 409.51 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-N-[(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-(3-fluorophenyl)-N-[(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]oxane-4-carboxamide
PubChem CID92614078
Molecular FormulaC24H28FN3O2
Molecular Weight409.51 g/mol
Exact Mass409.22
IUPAC Name4-(3-fluorophenyl)-N-[(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]oxane-4-carboxamide
SMILESCC(C)n1c([C@@H](C)NC(=O)C2(c3cccc(F)c3)CCOCC2)nc2ccccc21
InChIInChI=1S/C24H28FN3O2/c1-16(2)28-21-10-5-4-9-20(21)27-22(28)17(3)26-23(29)24(11-13-30-14-12-24)18-7-6-8-19(25)15-18/h4-10,15-17H,11-14H2,1-3H3,(H,26,29)/t17-/m1/s1
InChIKeyDAYKRDVHETVQGC-QGZVFWFLSA-N
XLogP4.68
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-N-[(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]oxane-4-carboxamide?
The IUPAC name of 4-(3-fluorophenyl)-N-[(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]oxane-4-carboxamide (CID 92614078) is 4-(3-fluorophenyl)-N-[(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]oxane-4-carboxamide.
What is the SMILES notation for 4-(3-fluorophenyl)-N-[(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]oxane-4-carboxamide?
The canonical SMILES for 4-(3-fluorophenyl)-N-[(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]oxane-4-carboxamide is CC(C)n1c([C@@H](C)NC(=O)C2(c3cccc(F)c3)CCOCC2)nc2ccccc21.
What is the InChIKey of 4-(3-fluorophenyl)-N-[(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]oxane-4-carboxamide?
The InChIKey is DAYKRDVHETVQGC-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H28FN3O2/c1-16(2)28-21-10-5-4-9-20(21)27-22(28)17(3)26-23(29)24(11-13-30-14-12-24)18-7-6-8-19(25)15-18/h4-10,15-17H,11-14H2,1-3H3,(H,26,29)/t17-/m1/s1.
What are the key properties of 4-(3-fluorophenyl)-N-[(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]oxane-4-carboxamide?
4-(3-fluorophenyl)-N-[(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]oxane-4-carboxamide has a molecular weight of 409.51 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-N-[(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]oxane-4-carboxamide is sourced from PubChem (CID 92614078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).