2-chloro-N-[(1R)-3-[[(1R)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]amino]-3-oxo-1-phenylpropyl]benzamide

C26H23ClF2N4O2 — CID 41272385

About 2-chloro-N-[(1R)-3-[[(1R)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]amino]-3-oxo-1-phenylpropyl]benzamide

2-chloro-N-[(1R)-3-[[(1R)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]amino]-3-oxo-1-phenylpropyl]benzamide (PubChem CID 41272385) has the molecular formula C26H23ClF2N4O2 and a molecular weight of 496.95 g/mol. Its IUPAC name is 2-chloro-N-[(1R)-3-[[(1R)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]amino]-3-oxo-1-phenylpropyl]benzamide.

Molecular Properties

• Compound Name: 2-chloro-N-[(1R)-3-[[(1R)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]amino]-3-oxo-1-phenylpropyl]benzamide
• PubChem CID: 41272385
• Molecular Formula: C26H23ClF2N4O2
• Molecular Weight: 496.95 g/mol
• Exact Mass: 496.15
• IUPAC Name: 2-chloro-N-[(1R)-3-[[(1R)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]amino]-3-oxo-1-phenylpropyl]benzamide
• SMILES: C[C@@H](NC(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)c1nc2ccccc2n1C(F)F
• InChI: InChI=1S/C26H23ClF2N4O2/c1-16(24-31-20-13-7-8-14-22(20)33(24)26(28)29)30-23(34)15-21(17-9-3-2-4-10-17)32-25(35)18-11-5-6-12-19(18)27/h2-14,16,21,26H,15H2,1H3,(H,30,34)(H,32,35)/t16-,21-/m1/s1
• InChIKey: UGZCAGSZGOTAHL-IIBYNOLFSA-N
• XLogP: 5.82
• TPSA: 76.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	496.95
LogP ≤ 5	5.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1R)-3-[[(1R)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]amino]-3-oxo-1-phenylpropyl]benzamide?

The IUPAC name of 2-chloro-N-[(1R)-3-[[(1R)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]amino]-3-oxo-1-phenylpropyl]benzamide (CID 41272385) is 2-chloro-N-[(1R)-3-[[(1R)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]amino]-3-oxo-1-phenylpropyl]benzamide.

What is the SMILES notation for 2-chloro-N-[(1R)-3-[[(1R)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]amino]-3-oxo-1-phenylpropyl]benzamide?

The canonical SMILES for 2-chloro-N-[(1R)-3-[[(1R)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]amino]-3-oxo-1-phenylpropyl]benzamide is C[C@@H](NC(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)c1nc2ccccc2n1C(F)F.

What is the InChIKey of 2-chloro-N-[(1R)-3-[[(1R)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]amino]-3-oxo-1-phenylpropyl]benzamide?

The InChIKey is UGZCAGSZGOTAHL-IIBYNOLFSA-N. The full InChI is InChI=1S/C26H23ClF2N4O2/c1-16(24-31-20-13-7-8-14-22(20)33(24)26(28)29)30-23(34)15-21(17-9-3-2-4-10-17)32-25(35)18-11-5-6-12-19(18)27/h2-14,16,21,26H,15H2,1H3,(H,30,34)(H,32,35)/t16-,21-/m1/s1.

What are the key properties of 2-chloro-N-[(1R)-3-[[(1R)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]amino]-3-oxo-1-phenylpropyl]benzamide?

2-chloro-N-[(1R)-3-[[(1R)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]amino]-3-oxo-1-phenylpropyl]benzamide has a molecular weight of 496.95 g/mol, XLogP of 5.82, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[(1R)-3-[[(1R)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]amino]-3-oxo-1-phenylpropyl]benzamide is sourced from PubChem (CID 41272385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).