N-[[1-[2-[4-[(2R)-butan-2-yl]phenoxy]ethyl]benzimidazol-2-yl]methyl]-N-methylfuran-2-carboxamide

C26H29N3O3 — CID 42100669

About N-[[1-[2-[4-[(2R)-butan-2-yl]phenoxy]ethyl]benzimidazol-2-yl]methyl]-N-methylfuran-2-carboxamide

N-[[1-[2-[4-[(2R)-butan-2-yl]phenoxy]ethyl]benzimidazol-2-yl]methyl]-N-methylfuran-2-carboxamide (PubChem CID 42100669) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-[[1-[2-[4-[(2R)-butan-2-yl]phenoxy]ethyl]benzimidazol-2-yl]methyl]-N-methylfuran-2-carboxamide.

Molecular Properties

• Compound Name: N-[[1-[2-[4-[(2R)-butan-2-yl]phenoxy]ethyl]benzimidazol-2-yl]methyl]-N-methylfuran-2-carboxamide
• PubChem CID: 42100669
• Molecular Formula: C26H29N3O3
• Molecular Weight: 431.54 g/mol
• Exact Mass: 431.22
• IUPAC Name: N-[[1-[2-[4-[(2R)-butan-2-yl]phenoxy]ethyl]benzimidazol-2-yl]methyl]-N-methylfuran-2-carboxamide
• SMILES: CC[C@@H](C)c1ccc(OCCn2c(CN(C)C(=O)c3ccco3)nc3ccccc32)cc1
• InChI: InChI=1S/C26H29N3O3/c1-4-19(2)20-11-13-21(14-12-20)31-17-15-29-23-9-6-5-8-22(23)27-25(29)18-28(3)26(30)24-10-7-16-32-24/h5-14,16,19H,4,15,17-18H2,1-3H3/t19-/m1/s1
• InChIKey: IUJSUVZZFLENHN-LJQANCHMSA-N
• XLogP: 5.49
• TPSA: 60.50 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	431.54
LogP ≤ 5	5.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-[4-[(2R)-butan-2-yl]phenoxy]ethyl]benzimidazol-2-yl]methyl]-N-methylfuran-2-carboxamide?

The IUPAC name of N-[[1-[2-[4-[(2R)-butan-2-yl]phenoxy]ethyl]benzimidazol-2-yl]methyl]-N-methylfuran-2-carboxamide (CID 42100669) is N-[[1-[2-[4-[(2R)-butan-2-yl]phenoxy]ethyl]benzimidazol-2-yl]methyl]-N-methylfuran-2-carboxamide.

What is the SMILES notation for N-[[1-[2-[4-[(2R)-butan-2-yl]phenoxy]ethyl]benzimidazol-2-yl]methyl]-N-methylfuran-2-carboxamide?

The canonical SMILES for N-[[1-[2-[4-[(2R)-butan-2-yl]phenoxy]ethyl]benzimidazol-2-yl]methyl]-N-methylfuran-2-carboxamide is CC[C@@H](C)c1ccc(OCCn2c(CN(C)C(=O)c3ccco3)nc3ccccc32)cc1.

What is the InChIKey of N-[[1-[2-[4-[(2R)-butan-2-yl]phenoxy]ethyl]benzimidazol-2-yl]methyl]-N-methylfuran-2-carboxamide?

The InChIKey is IUJSUVZZFLENHN-LJQANCHMSA-N. The full InChI is InChI=1S/C26H29N3O3/c1-4-19(2)20-11-13-21(14-12-20)31-17-15-29-23-9-6-5-8-22(23)27-25(29)18-28(3)26(30)24-10-7-16-32-24/h5-14,16,19H,4,15,17-18H2,1-3H3/t19-/m1/s1.

What are the key properties of N-[[1-[2-[4-[(2R)-butan-2-yl]phenoxy]ethyl]benzimidazol-2-yl]methyl]-N-methylfuran-2-carboxamide?

N-[[1-[2-[4-[(2R)-butan-2-yl]phenoxy]ethyl]benzimidazol-2-yl]methyl]-N-methylfuran-2-carboxamide has a molecular weight of 431.54 g/mol, XLogP of 5.49, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[1-[2-[4-[(2R)-butan-2-yl]phenoxy]ethyl]benzimidazol-2-yl]methyl]-N-methylfuran-2-carboxamide is sourced from PubChem (CID 42100669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).