(2R,4R)-6-chloro-N-[3-[(5,6-difluoro-1H-benzimidazol-2-yl)methylcarbamoyl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide

C24H21ClF2N4O4 — CID 155254235

About (2R,4R)-6-chloro-N-[3-[(5,6-difluoro-1H-benzimidazol-2-yl)methylcarbamoyl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide

(2R,4R)-6-chloro-N-[3-[(5,6-difluoro-1H-benzimidazol-2-yl)methylcarbamoyl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide (PubChem CID 155254235) has the molecular formula C24H21ClF2N4O4 and a molecular weight of 502.91 g/mol. Its IUPAC name is (2R,4R)-6-chloro-N-[3-[(5,6-difluoro-1H-benzimidazol-2-yl)methylcarbamoyl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide.

Molecular Properties

• Compound Name: (2R,4R)-6-chloro-N-[3-[(5,6-difluoro-1H-benzimidazol-2-yl)methylcarbamoyl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide
• PubChem CID: 155254235
• Molecular Formula: C24H21ClF2N4O4
• Molecular Weight: 502.91 g/mol
• Exact Mass: 502.12
• IUPAC Name: (2R,4R)-6-chloro-N-[3-[(5,6-difluoro-1H-benzimidazol-2-yl)methylcarbamoyl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide
• SMILES: O=C(NC12CC(C(=O)NCc3nc4cc(F)c(F)cc4[nH]3)(C1)C2)[C@H]1C[C@@H](O)c2cc(Cl)ccc2O1
• InChI: InChI=1S/C24H21ClF2N4O4/c25-11-1-2-18-12(3-11)17(32)6-19(35-18)21(33)31-24-8-23(9-24,10-24)22(34)28-7-20-29-15-4-13(26)14(27)5-16(15)30-20/h1-5,17,19,32H,6-10H2,(H,28,34)(H,29,30)(H,31,33)/t17-,19-,23?,24?/m1/s1
• InChIKey: FVHWTYKWRUIHPO-ZJDDQXAKSA-N
• XLogP: 3.03
• TPSA: 116.34 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.91
LogP ≤ 5	3.03
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-6-chloro-N-[3-[(5,6-difluoro-1H-benzimidazol-2-yl)methylcarbamoyl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide?

The IUPAC name of (2R,4R)-6-chloro-N-[3-[(5,6-difluoro-1H-benzimidazol-2-yl)methylcarbamoyl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide (CID 155254235) is (2R,4R)-6-chloro-N-[3-[(5,6-difluoro-1H-benzimidazol-2-yl)methylcarbamoyl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide.

What is the SMILES notation for (2R,4R)-6-chloro-N-[3-[(5,6-difluoro-1H-benzimidazol-2-yl)methylcarbamoyl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide?

The canonical SMILES for (2R,4R)-6-chloro-N-[3-[(5,6-difluoro-1H-benzimidazol-2-yl)methylcarbamoyl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide is O=C(NC12CC(C(=O)NCc3nc4cc(F)c(F)cc4[nH]3)(C1)C2)[C@H]1C[C@@H](O)c2cc(Cl)ccc2O1.

What is the InChIKey of (2R,4R)-6-chloro-N-[3-[(5,6-difluoro-1H-benzimidazol-2-yl)methylcarbamoyl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide?

The InChIKey is FVHWTYKWRUIHPO-ZJDDQXAKSA-N. The full InChI is InChI=1S/C24H21ClF2N4O4/c25-11-1-2-18-12(3-11)17(32)6-19(35-18)21(33)31-24-8-23(9-24,10-24)22(34)28-7-20-29-15-4-13(26)14(27)5-16(15)30-20/h1-5,17,19,32H,6-10H2,(H,28,34)(H,29,30)(H,31,33)/t17-,19-,23?,24?/m1/s1.

What are the key properties of (2R,4R)-6-chloro-N-[3-[(5,6-difluoro-1H-benzimidazol-2-yl)methylcarbamoyl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide?

(2R,4R)-6-chloro-N-[3-[(5,6-difluoro-1H-benzimidazol-2-yl)methylcarbamoyl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide has a molecular weight of 502.91 g/mol, XLogP of 3.03, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,4R)-6-chloro-N-[3-[(5,6-difluoro-1H-benzimidazol-2-yl)methylcarbamoyl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide is sourced from PubChem (CID 155254235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).