N-(5-benzyl-1H-imidazol-2-yl)-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-(5-benzyl-1H-imidazol-2-yl)-1,15-dimethyl-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[5-(4-fluoronaphthalen-1-yl)-1H-imidazol-2-yl]-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide

C109H96F2N20O4S — CID 158285940

About N-(5-benzyl-1H-imidazol-2-yl)-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-(5-benzyl-1H-imidazol-2-yl)-1,15-dimethyl-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[5-(4-fluoronaphthalen-1-yl)-1H-imidazol-2-yl]-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide

N-(5-benzyl-1H-imidazol-2-yl)-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-(5-benzyl-1H-imidazol-2-yl)-1,15-dimethyl-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[5-(4-fluoronaphthalen-1-yl)-1H-imidazol-2-yl]-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide (PubChem CID 158285940) has the molecular formula C109H96F2N20O4S and a molecular weight of 1820.17 g/mol. Its IUPAC name is N-(5-benzyl-1H-imidazol-2-yl)-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-(5-benzyl-1H-imidazol-2-yl)-1,15-dimethyl-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[5-(4-fluoronaphthalen-1-yl)-1H-imidazol-2-yl]-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide.

Molecular Properties

• Compound Name: N-(5-benzyl-1H-imidazol-2-yl)-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-(5-benzyl-1H-imidazol-2-yl)-1,15-dimethyl-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[5-(4-fluoronaphthalen-1-yl)-1H-imidazol-2-yl]-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide
• PubChem CID: 158285940
• Molecular Formula: C109H96F2N20O4S
• Molecular Weight: 1820.17 g/mol
• Exact Mass: 1818.76
• IUPAC Name: N-(5-benzyl-1H-imidazol-2-yl)-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-(5-benzyl-1H-imidazol-2-yl)-1,15-dimethyl-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[5-(4-fluoronaphthalen-1-yl)-1H-imidazol-2-yl]-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide
• SMILES: CC12CC(C)(C(=O)Nc3nc(-c4ccc(F)c5ccccc45)cs3)C(c3ccccc31)n1ccnc12.CC12CC(C)(C(=O)Nc3ncc(-c4ccc(F)c5ccccc45)[nH]3)C(c3ccccc31)n1ccnc12.CC12CC(C)(C(=O)Nc3ncc(Cc4ccccc4)[nH]3)C(c3ccccc31)n1ccnc12.CC12CC(C)(C(=O)Nc3ncc(Cc4ccccc4)[nH]3)C(c3ccccc31)n1cnnc12
• InChI: InChI=1S/C29H24FN5O.C29H23FN4OS.C26H25N5O.C25H24N6O/c1-28-16-29(2,24(35-14-13-31-25(28)35)20-9-5-6-10-21(20)28)26(36)34-27-32-15-23(33-27)19-11-12-22(30)18-8-4-3-7-17(18)19;1-28-16-29(2,24(34-14-13-31-25(28)34)20-9-5-6-10-21(20)28)26(35)33-27-32-23(15-36-27)19-11-12-22(30)18-8-4-3-7-17(18)19;1-25-16-26(2,21(31-13-12-27-22(25)31)19-10-6-7-11-20(19)25)23(32)30-24-28-15-18(29-24)14-17-8-4-3-5-9-17;1-24-14-25(2,20(31-15-27-30-21(24)31)18-10-6-7-11-19(18)24)22(32)29-23-26-13-17(28-23)12-16-8-4-3-5-9-16/h3-15,24H,16H2,1-2H3,(H2,32,33,34,36);3-15,24H,16H2,1-2H3,(H,32,33,35);3-13,15,21H,14,16H2,1-2H3,(H2,28,29,30,32);3-11,13,15,20H,12,14H2,1-2H3,(H2,26,28,29,32)
• InChIKey: GKTZEYIYKXQZBY-UHFFFAOYSA-N
• XLogP: 20.68
• TPSA: 299.50 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 18
• Rotatable Bonds: 14
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1820.17
LogP ≤ 5	20.68
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-1H-imidazol-2-yl)-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-(5-benzyl-1H-imidazol-2-yl)-1,15-dimethyl-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[5-(4-fluoronaphthalen-1-yl)-1H-imidazol-2-yl]-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide?

The IUPAC name of N-(5-benzyl-1H-imidazol-2-yl)-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-(5-benzyl-1H-imidazol-2-yl)-1,15-dimethyl-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[5-(4-fluoronaphthalen-1-yl)-1H-imidazol-2-yl]-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide (CID 158285940) is N-(5-benzyl-1H-imidazol-2-yl)-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-(5-benzyl-1H-imidazol-2-yl)-1,15-dimethyl-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[5-(4-fluoronaphthalen-1-yl)-1H-imidazol-2-yl]-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide.

What is the SMILES notation for N-(5-benzyl-1H-imidazol-2-yl)-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-(5-benzyl-1H-imidazol-2-yl)-1,15-dimethyl-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[5-(4-fluoronaphthalen-1-yl)-1H-imidazol-2-yl]-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide?

The canonical SMILES for N-(5-benzyl-1H-imidazol-2-yl)-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-(5-benzyl-1H-imidazol-2-yl)-1,15-dimethyl-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[5-(4-fluoronaphthalen-1-yl)-1H-imidazol-2-yl]-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide is CC12CC(C)(C(=O)Nc3nc(-c4ccc(F)c5ccccc45)cs3)C(c3ccccc31)n1ccnc12.CC12CC(C)(C(=O)Nc3ncc(-c4ccc(F)c5ccccc45)[nH]3)C(c3ccccc31)n1ccnc12.CC12CC(C)(C(=O)Nc3ncc(Cc4ccccc4)[nH]3)C(c3ccccc31)n1ccnc12.CC12CC(C)(C(=O)Nc3ncc(Cc4ccccc4)[nH]3)C(c3ccccc31)n1cnnc12.

What is the InChIKey of N-(5-benzyl-1H-imidazol-2-yl)-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-(5-benzyl-1H-imidazol-2-yl)-1,15-dimethyl-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[5-(4-fluoronaphthalen-1-yl)-1H-imidazol-2-yl]-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide?

The InChIKey is GKTZEYIYKXQZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24FN5O.C29H23FN4OS.C26H25N5O.C25H24N6O/c1-28-16-29(2,24(35-14-13-31-25(28)35)20-9-5-6-10-21(20)28)26(36)34-27-32-15-23(33-27)19-11-12-22(30)18-8-4-3-7-17(18)19;1-28-16-29(2,24(34-14-13-31-25(28)34)20-9-5-6-10-21(20)28)26(35)33-27-32-23(15-36-27)19-11-12-22(30)18-8-4-3-7-17(18)19;1-25-16-26(2,21(31-13-12-27-22(25)31)19-10-6-7-11-20(19)25)23(32)30-24-28-15-18(29-24)14-17-8-4-3-5-9-17;1-24-14-25(2,20(31-15-27-30-21(24)31)18-10-6-7-11-19(18)24)22(32)29-23-26-13-17(28-23)12-16-8-4-3-5-9-16/h3-15,24H,16H2,1-2H3,(H2,32,33,34,36);3-15,24H,16H2,1-2H3,(H,32,33,35);3-13,15,21H,14,16H2,1-2H3,(H2,28,29,30,32);3-11,13,15,20H,12,14H2,1-2H3,(H2,26,28,29,32).

What are the key properties of N-(5-benzyl-1H-imidazol-2-yl)-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-(5-benzyl-1H-imidazol-2-yl)-1,15-dimethyl-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[5-(4-fluoronaphthalen-1-yl)-1H-imidazol-2-yl]-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide?

N-(5-benzyl-1H-imidazol-2-yl)-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-(5-benzyl-1H-imidazol-2-yl)-1,15-dimethyl-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[5-(4-fluoronaphthalen-1-yl)-1H-imidazol-2-yl]-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide has a molecular weight of 1820.17 g/mol, XLogP of 20.68, 14 rotatable bonds, 7 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-benzyl-1H-imidazol-2-yl)-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-(5-benzyl-1H-imidazol-2-yl)-1,15-dimethyl-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[5-(4-fluoronaphthalen-1-yl)-1H-imidazol-2-yl]-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide is sourced from PubChem (CID 158285940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).