7-[5-(6-methoxynaphthalen-2-yl)-1H-imidazol-2-yl]heptanamide

C21H25N3O2 — CID 90149185

IUPAC7-[5-(6-methoxynaphthalen-2-yl)-1H-imidazol-2-yl]heptanamide
SMILESCOc1ccc2cc(-c3cnc(CCCCCCC(N)=O)[nH]3)ccc2c1
InChIInChI=1S/C21H25N3O2/c1-26-18-11-10-15-12-17(9-8-16(15)13-18)19-14-23-21(24-19)7-5-3-2-4-6-20(22)25/h8-14H,2-7H2,1H3,(H2,22,25)(H,23,24)
InChIKeyBYLACCDQMUPWMP-UHFFFAOYSA-N
MW351.45 g/mol
LogP4.22
Rot. Bonds9

About 7-[5-(6-methoxynaphthalen-2-yl)-1H-imidazol-2-yl]heptanamide

7-[5-(6-methoxynaphthalen-2-yl)-1H-imidazol-2-yl]heptanamide (PubChem CID 90149185) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 7-[5-(6-methoxynaphthalen-2-yl)-1H-imidazol-2-yl]heptanamide.

Molecular Properties

Compound Name7-[5-(6-methoxynaphthalen-2-yl)-1H-imidazol-2-yl]heptanamide
PubChem CID90149185
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name7-[5-(6-methoxynaphthalen-2-yl)-1H-imidazol-2-yl]heptanamide
SMILESCOc1ccc2cc(-c3cnc(CCCCCCC(N)=O)[nH]3)ccc2c1
InChIInChI=1S/C21H25N3O2/c1-26-18-11-10-15-12-17(9-8-16(15)13-18)19-14-23-21(24-19)7-5-3-2-4-6-20(22)25/h8-14H,2-7H2,1H3,(H2,22,25)(H,23,24)
InChIKeyBYLACCDQMUPWMP-UHFFFAOYSA-N
XLogP4.22
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[5-(6-methoxynaphthalen-2-yl)-1H-imidazol-2-yl]heptanamide?
The IUPAC name of 7-[5-(6-methoxynaphthalen-2-yl)-1H-imidazol-2-yl]heptanamide (CID 90149185) is 7-[5-(6-methoxynaphthalen-2-yl)-1H-imidazol-2-yl]heptanamide.
What is the SMILES notation for 7-[5-(6-methoxynaphthalen-2-yl)-1H-imidazol-2-yl]heptanamide?
The canonical SMILES for 7-[5-(6-methoxynaphthalen-2-yl)-1H-imidazol-2-yl]heptanamide is COc1ccc2cc(-c3cnc(CCCCCCC(N)=O)[nH]3)ccc2c1.
What is the InChIKey of 7-[5-(6-methoxynaphthalen-2-yl)-1H-imidazol-2-yl]heptanamide?
The InChIKey is BYLACCDQMUPWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-26-18-11-10-15-12-17(9-8-16(15)13-18)19-14-23-21(24-19)7-5-3-2-4-6-20(22)25/h8-14H,2-7H2,1H3,(H2,22,25)(H,23,24).
What are the key properties of 7-[5-(6-methoxynaphthalen-2-yl)-1H-imidazol-2-yl]heptanamide?
7-[5-(6-methoxynaphthalen-2-yl)-1H-imidazol-2-yl]heptanamide has a molecular weight of 351.45 g/mol, XLogP of 4.22, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-(6-methoxynaphthalen-2-yl)-1H-imidazol-2-yl]heptanamide is sourced from PubChem (CID 90149185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).