(2R)-2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-[2-(1-methylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide

C29H30FN3O3 — CID 129455798

About (2R)-2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-[2-(1-methylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide

(2R)-2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-[2-(1-methylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide (PubChem CID 129455798) has the molecular formula C29H30FN3O3 and a molecular weight of 487.58 g/mol. Its IUPAC name is (2R)-2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-[2-(1-methylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide.

Molecular Properties

• Compound Name: (2R)-2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-[2-(1-methylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide
• PubChem CID: 129455798
• Molecular Formula: C29H30FN3O3
• Molecular Weight: 487.58 g/mol
• Exact Mass: 487.23
• IUPAC Name: (2R)-2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-[2-(1-methylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide
• SMILES: COc1ccc(F)cc1-c1ccc(C[C@@]2(C(=O)NCCc3nc4ccccc4n3C)CCCO2)cc1
• InChI: InChI=1S/C29H30FN3O3/c1-33-25-7-4-3-6-24(25)32-27(33)14-16-31-28(34)29(15-5-17-36-29)19-20-8-10-21(11-9-20)23-18-22(30)12-13-26(23)35-2/h3-4,6-13,18H,5,14-17,19H2,1-2H3,(H,31,34)/t29-/m1/s1
• InChIKey: JNHFXRFPWOJODB-GDLZYMKVSA-N
• XLogP: 4.84
• TPSA: 65.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.58
LogP ≤ 5	4.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-[2-(1-methylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide?

The IUPAC name of (2R)-2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-[2-(1-methylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide (CID 129455798) is (2R)-2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-[2-(1-methylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide.

What is the SMILES notation for (2R)-2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-[2-(1-methylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide?

The canonical SMILES for (2R)-2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-[2-(1-methylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide is COc1ccc(F)cc1-c1ccc(C[C@@]2(C(=O)NCCc3nc4ccccc4n3C)CCCO2)cc1.

What is the InChIKey of (2R)-2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-[2-(1-methylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide?

The InChIKey is JNHFXRFPWOJODB-GDLZYMKVSA-N. The full InChI is InChI=1S/C29H30FN3O3/c1-33-25-7-4-3-6-24(25)32-27(33)14-16-31-28(34)29(15-5-17-36-29)19-20-8-10-21(11-9-20)23-18-22(30)12-13-26(23)35-2/h3-4,6-13,18H,5,14-17,19H2,1-2H3,(H,31,34)/t29-/m1/s1.

What are the key properties of (2R)-2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-[2-(1-methylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide?

(2R)-2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-[2-(1-methylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide has a molecular weight of 487.58 g/mol, XLogP of 4.84, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-[2-(1-methylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 129455798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).