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

C43H50N8O4 — CID 144903754

About methyl N-[1-[2-[5-[4-[4-(1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;N-methyl-N-pyridin-2-ylbicyclo[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-methyl-1-oxobutan-2-yl]carbamate;N-methyl-N-pyridin-2-ylbicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 144903754) has the molecular formula C43H50N8O4 and a molecular weight of 742.93 g/mol. Its IUPAC name is methyl N-[1-[2-[5-[4-[4-(1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;N-methyl-N-pyridin-2-ylbicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

• Compound Name: methyl N-[1-[2-[5-[4-[4-(1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;N-methyl-N-pyridin-2-ylbicyclo[2.2.1]heptane-2-carboxamide
• PubChem CID: 144903754
• Molecular Formula: C43H50N8O4
• Molecular Weight: 742.93 g/mol
• Exact Mass: 742.40
• IUPAC Name: methyl N-[1-[2-[5-[4-[4-(1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;N-methyl-N-pyridin-2-ylbicyclo[2.2.1]heptane-2-carboxamide
• SMILES: CN(C(=O)C1CC2CCC1C2)c1ccccn1.COC(=O)NC(C(=O)N1CCCC1c1ncc(-c2ccc(-c3ccc(-c4cnc[nH]4)cc3)cc2)[nH]1)C(C)C
• InChI: InChI=1S/C29H32N6O3.C14H18N2O/c1-18(2)26(34-29(37)38-3)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;1-16(13-4-2-3-7-15-13)14(17)12-9-10-5-6-11(12)8-10/h6-13,15-18,25-26H,4-5,14H2,1-3H3,(H,30,32)(H,31,33)(H,34,37);2-4,7,10-12H,5-6,8-9H2,1H3
• InChIKey: LZCSWYCLENFYRO-UHFFFAOYSA-N
• XLogP: 7.66
• TPSA: 149.20 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	742.93
LogP ≤ 5	7.66
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of methyl N-[1-[2-[5-[4-[4-(1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;N-methyl-N-pyridin-2-ylbicyclo[2.2.1]heptane-2-carboxamide (CID 144903754) is methyl N-[1-[2-[5-[4-[4-(1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;N-methyl-N-pyridin-2-ylbicyclo[2.2.1]heptane-2-carboxamide.

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

The canonical SMILES for methyl N-[1-[2-[5-[4-[4-(1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;N-methyl-N-pyridin-2-ylbicyclo[2.2.1]heptane-2-carboxamide is CN(C(=O)C1CC2CCC1C2)c1ccccn1.COC(=O)NC(C(=O)N1CCCC1c1ncc(-c2ccc(-c3ccc(-c4cnc[nH]4)cc3)cc2)[nH]1)C(C)C.

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

The InChIKey is LZCSWYCLENFYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N6O3.C14H18N2O/c1-18(2)26(34-29(37)38-3)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;1-16(13-4-2-3-7-15-13)14(17)12-9-10-5-6-11(12)8-10/h6-13,15-18,25-26H,4-5,14H2,1-3H3,(H,30,32)(H,31,33)(H,34,37);2-4,7,10-12H,5-6,8-9H2,1H3.

What are the key properties of methyl N-[1-[2-[5-[4-[4-(1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;N-methyl-N-pyridin-2-ylbicyclo[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-methyl-1-oxobutan-2-yl]carbamate;N-methyl-N-pyridin-2-ylbicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 742.93 g/mol, XLogP of 7.66, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for methyl N-[1-[2-[5-[4-[4-(1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;N-methyl-N-pyridin-2-ylbicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 144903754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).