N-(2-hydroxyethyl)bicyclo[2.2.1]heptane-2-carboxamide;methyl N-[1-[2-[5-[4-[4-(1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate

C39H49N7O6 — CID 144904212

About N-(2-hydroxyethyl)bicyclo[2.2.1]heptane-2-carboxamide;methyl N-[1-[2-[5-[4-[4-(1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate

N-(2-hydroxyethyl)bicyclo[2.2.1]heptane-2-carboxamide;methyl N-[1-[2-[5-[4-[4-(1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate (PubChem CID 144904212) has the molecular formula C39H49N7O6 and a molecular weight of 711.86 g/mol. Its IUPAC name is N-(2-hydroxyethyl)bicyclo[2.2.1]heptane-2-carboxamide;methyl N-[1-[2-[5-[4-[4-(1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate.

Molecular Properties

• Compound Name: N-(2-hydroxyethyl)bicyclo[2.2.1]heptane-2-carboxamide;methyl N-[1-[2-[5-[4-[4-(1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate
• PubChem CID: 144904212
• Molecular Formula: C39H49N7O6
• Molecular Weight: 711.86 g/mol
• Exact Mass: 711.37
• IUPAC Name: N-(2-hydroxyethyl)bicyclo[2.2.1]heptane-2-carboxamide;methyl N-[1-[2-[5-[4-[4-(1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate
• SMILES: COC(=O)NC(C(=O)N1CCCC1c1ncc(-c2ccc(-c3ccc(-c4cnc[nH]4)cc3)cc2)[nH]1)C(C)OC.O=C(NCCO)C1CC2CCC1C2
• InChI: InChI=1S/C29H32N6O4.C10H17NO2/c1-18(38-2)26(34-29(37)39-3)28(36)35-14-4-5-25(35)27-31-16-24(33-27)22-12-8-20(9-13-22)19-6-10-21(11-7-19)23-15-30-17-32-23;12-4-3-11-10(13)9-6-7-1-2-8(9)5-7/h6-13,15-18,25-26H,4-5,14H2,1-3H3,(H,30,32)(H,31,33)(H,34,37);7-9,12H,1-6H2,(H,11,13)
• InChIKey: LYAHKNNCOJJMCD-UHFFFAOYSA-N
• XLogP: 5.09
• TPSA: 174.56 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	711.86
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)bicyclo[2.2.1]heptane-2-carboxamide;methyl N-[1-[2-[5-[4-[4-(1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate?

The IUPAC name of N-(2-hydroxyethyl)bicyclo[2.2.1]heptane-2-carboxamide;methyl N-[1-[2-[5-[4-[4-(1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate (CID 144904212) is N-(2-hydroxyethyl)bicyclo[2.2.1]heptane-2-carboxamide;methyl N-[1-[2-[5-[4-[4-(1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate.

What is the SMILES notation for N-(2-hydroxyethyl)bicyclo[2.2.1]heptane-2-carboxamide;methyl N-[1-[2-[5-[4-[4-(1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate?

The canonical SMILES for N-(2-hydroxyethyl)bicyclo[2.2.1]heptane-2-carboxamide;methyl N-[1-[2-[5-[4-[4-(1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate is COC(=O)NC(C(=O)N1CCCC1c1ncc(-c2ccc(-c3ccc(-c4cnc[nH]4)cc3)cc2)[nH]1)C(C)OC.O=C(NCCO)C1CC2CCC1C2.

What is the InChIKey of N-(2-hydroxyethyl)bicyclo[2.2.1]heptane-2-carboxamide;methyl N-[1-[2-[5-[4-[4-(1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate?

The InChIKey is LYAHKNNCOJJMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N6O4.C10H17NO2/c1-18(38-2)26(34-29(37)39-3)28(36)35-14-4-5-25(35)27-31-16-24(33-27)22-12-8-20(9-13-22)19-6-10-21(11-7-19)23-15-30-17-32-23;12-4-3-11-10(13)9-6-7-1-2-8(9)5-7/h6-13,15-18,25-26H,4-5,14H2,1-3H3,(H,30,32)(H,31,33)(H,34,37);7-9,12H,1-6H2,(H,11,13).

What are the key properties of N-(2-hydroxyethyl)bicyclo[2.2.1]heptane-2-carboxamide;methyl N-[1-[2-[5-[4-[4-(1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate?

N-(2-hydroxyethyl)bicyclo[2.2.1]heptane-2-carboxamide;methyl N-[1-[2-[5-[4-[4-(1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate has a molecular weight of 711.86 g/mol, XLogP of 5.09, 11 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-hydroxyethyl)bicyclo[2.2.1]heptane-2-carboxamide;methyl N-[1-[2-[5-[4-[4-(1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 144904212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).