N-(furan-2-ylmethyl)formamide;methyl N-[1-[2-[5-[4-[4-[2-[(2R)-2-bicyclo[2.2.1]heptanyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate

C42H49N7O5 — CID 144904000

About N-(furan-2-ylmethyl)formamide;methyl N-[1-[2-[5-[4-[4-[2-[(2R)-2-bicyclo[2.2.1]heptanyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate

N-(furan-2-ylmethyl)formamide;methyl N-[1-[2-[5-[4-[4-[2-[(2R)-2-bicyclo[2.2.1]heptanyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate (PubChem CID 144904000) has the molecular formula C42H49N7O5 and a molecular weight of 731.90 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)formamide;methyl N-[1-[2-[5-[4-[4-[2-[(2R)-2-bicyclo[2.2.1]heptanyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate.

Molecular Properties

• Compound Name: N-(furan-2-ylmethyl)formamide;methyl N-[1-[2-[5-[4-[4-[2-[(2R)-2-bicyclo[2.2.1]heptanyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
• PubChem CID: 144904000
• Molecular Formula: C42H49N7O5
• Molecular Weight: 731.90 g/mol
• Exact Mass: 731.38
• IUPAC Name: N-(furan-2-ylmethyl)formamide;methyl N-[1-[2-[5-[4-[4-[2-[(2R)-2-bicyclo[2.2.1]heptanyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
• SMILES: COC(=O)NC(C(=O)N1CCCC1c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H]5CC6CCC5C6)[nH]4)cc3)cc2)[nH]1)C(C)C.O=CNCc1ccco1
• InChI: InChI=1S/C36H42N6O3.C6H7NO2/c1-21(2)32(41-36(44)45-3)35(43)42-16-4-5-31(42)34-38-20-30(40-34)26-14-10-24(11-15-26)23-8-12-25(13-9-23)29-19-37-33(39-29)28-18-22-6-7-27(28)17-22;8-5-7-4-6-2-1-3-9-6/h8-15,19-22,27-28,31-32H,4-7,16-18H2,1-3H3,(H,37,39)(H,38,40)(H,41,44);1-3,5H,4H2,(H,7,8)/t22?,27?,28-,31?,32?;/m1./s1
• InChIKey: IQCACULREFXPBU-BUXGDILBSA-N
• XLogP: 7.61
• TPSA: 158.24 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	731.90
LogP ≤ 5	7.61
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)formamide;methyl N-[1-[2-[5-[4-[4-[2-[(2R)-2-bicyclo[2.2.1]heptanyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate?

The IUPAC name of N-(furan-2-ylmethyl)formamide;methyl N-[1-[2-[5-[4-[4-[2-[(2R)-2-bicyclo[2.2.1]heptanyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate (CID 144904000) is N-(furan-2-ylmethyl)formamide;methyl N-[1-[2-[5-[4-[4-[2-[(2R)-2-bicyclo[2.2.1]heptanyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate.

What is the SMILES notation for N-(furan-2-ylmethyl)formamide;methyl N-[1-[2-[5-[4-[4-[2-[(2R)-2-bicyclo[2.2.1]heptanyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate?

The canonical SMILES for N-(furan-2-ylmethyl)formamide;methyl N-[1-[2-[5-[4-[4-[2-[(2R)-2-bicyclo[2.2.1]heptanyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate is COC(=O)NC(C(=O)N1CCCC1c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H]5CC6CCC5C6)[nH]4)cc3)cc2)[nH]1)C(C)C.O=CNCc1ccco1.

What is the InChIKey of N-(furan-2-ylmethyl)formamide;methyl N-[1-[2-[5-[4-[4-[2-[(2R)-2-bicyclo[2.2.1]heptanyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate?

The InChIKey is IQCACULREFXPBU-BUXGDILBSA-N. The full InChI is InChI=1S/C36H42N6O3.C6H7NO2/c1-21(2)32(41-36(44)45-3)35(43)42-16-4-5-31(42)34-38-20-30(40-34)26-14-10-24(11-15-26)23-8-12-25(13-9-23)29-19-37-33(39-29)28-18-22-6-7-27(28)17-22;8-5-7-4-6-2-1-3-9-6/h8-15,19-22,27-28,31-32H,4-7,16-18H2,1-3H3,(H,37,39)(H,38,40)(H,41,44);1-3,5H,4H2,(H,7,8)/t22?,27?,28-,31?,32?;/m1./s1.

What are the key properties of N-(furan-2-ylmethyl)formamide;methyl N-[1-[2-[5-[4-[4-[2-[(2R)-2-bicyclo[2.2.1]heptanyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate?

N-(furan-2-ylmethyl)formamide;methyl N-[1-[2-[5-[4-[4-[2-[(2R)-2-bicyclo[2.2.1]heptanyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate has a molecular weight of 731.90 g/mol, XLogP of 7.61, 11 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(furan-2-ylmethyl)formamide;methyl N-[1-[2-[5-[4-[4-[2-[(2R)-2-bicyclo[2.2.1]heptanyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 144904000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).