N-[5-(6-methoxynaphthalen-1-yl)-1H-imidazol-2-yl]-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide

C32H27N3O2 — CID 10368117

About N-[5-(6-methoxynaphthalen-1-yl)-1H-imidazol-2-yl]-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide

N-[5-(6-methoxynaphthalen-1-yl)-1H-imidazol-2-yl]-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide (PubChem CID 10368117) has the molecular formula C32H27N3O2 and a molecular weight of 485.59 g/mol. Its IUPAC name is N-[5-(6-methoxynaphthalen-1-yl)-1H-imidazol-2-yl]-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide.

Molecular Properties

• Compound Name: N-[5-(6-methoxynaphthalen-1-yl)-1H-imidazol-2-yl]-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
• PubChem CID: 10368117
• Molecular Formula: C32H27N3O2
• Molecular Weight: 485.59 g/mol
• Exact Mass: 485.21
• IUPAC Name: N-[5-(6-methoxynaphthalen-1-yl)-1H-imidazol-2-yl]-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
• SMILES: COc1ccc2c(-c3cnc(NC(=O)C4(C)CC5c6ccccc6C4c4ccccc45)[nH]3)cccc2c1
• InChI: InChI=1S/C32H27N3O2/c1-32(17-27-22-9-3-5-11-25(22)29(32)26-12-6-4-10-23(26)27)30(36)35-31-33-18-28(34-31)24-13-7-8-19-16-20(37-2)14-15-21(19)24/h3-16,18,27,29H,17H2,1-2H3,(H2,33,34,35,36)
• InChIKey: VNZCAKNZMSBRRK-UHFFFAOYSA-N
• XLogP: 6.86
• TPSA: 67.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	485.59
LogP ≤ 5	6.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[5-(6-methoxynaphthalen-1-yl)-1H-imidazol-2-yl]-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?

The IUPAC name of N-[5-(6-methoxynaphthalen-1-yl)-1H-imidazol-2-yl]-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide (CID 10368117) is N-[5-(6-methoxynaphthalen-1-yl)-1H-imidazol-2-yl]-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide.

What is the SMILES notation for N-[5-(6-methoxynaphthalen-1-yl)-1H-imidazol-2-yl]-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?

The canonical SMILES for N-[5-(6-methoxynaphthalen-1-yl)-1H-imidazol-2-yl]-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide is COc1ccc2c(-c3cnc(NC(=O)C4(C)CC5c6ccccc6C4c4ccccc45)[nH]3)cccc2c1.

What is the InChIKey of N-[5-(6-methoxynaphthalen-1-yl)-1H-imidazol-2-yl]-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?

The InChIKey is VNZCAKNZMSBRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27N3O2/c1-32(17-27-22-9-3-5-11-25(22)29(32)26-12-6-4-10-23(26)27)30(36)35-31-33-18-28(34-31)24-13-7-8-19-16-20(37-2)14-15-21(19)24/h3-16,18,27,29H,17H2,1-2H3,(H2,33,34,35,36).

What are the key properties of N-[5-(6-methoxynaphthalen-1-yl)-1H-imidazol-2-yl]-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?

N-[5-(6-methoxynaphthalen-1-yl)-1H-imidazol-2-yl]-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide has a molecular weight of 485.59 g/mol, XLogP of 6.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(6-methoxynaphthalen-1-yl)-1H-imidazol-2-yl]-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide is sourced from PubChem (CID 10368117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).