5-(cycloheptylmethyl)-2-naphthalen-2-yl-1H-imidazole-4-carboxylic acid

C22H24N2O2 — CID 11559331

IUPAC5-(cycloheptylmethyl)-2-naphthalen-2-yl-1H-imidazole-4-carboxylic acid
SMILESO=C(O)c1nc(-c2ccc3ccccc3c2)[nH]c1CC1CCCCCC1
InChIInChI=1S/C22H24N2O2/c25-22(26)20-19(13-15-7-3-1-2-4-8-15)23-21(24-20)18-12-11-16-9-5-6-10-17(16)14-18/h5-6,9-12,14-15H,1-4,7-8,13H2,(H,23,24)(H,25,26)
InChIKeyJQRLTOJZUMAXPT-UHFFFAOYSA-N
MW348.45 g/mol
LogP5.44
Rot. Bonds4

About 5-(cycloheptylmethyl)-2-naphthalen-2-yl-1H-imidazole-4-carboxylic acid

5-(cycloheptylmethyl)-2-naphthalen-2-yl-1H-imidazole-4-carboxylic acid (PubChem CID 11559331) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 5-(cycloheptylmethyl)-2-naphthalen-2-yl-1H-imidazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(cycloheptylmethyl)-2-naphthalen-2-yl-1H-imidazole-4-carboxylic acid
PubChem CID11559331
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name5-(cycloheptylmethyl)-2-naphthalen-2-yl-1H-imidazole-4-carboxylic acid
SMILESO=C(O)c1nc(-c2ccc3ccccc3c2)[nH]c1CC1CCCCCC1
InChIInChI=1S/C22H24N2O2/c25-22(26)20-19(13-15-7-3-1-2-4-8-15)23-21(24-20)18-12-11-16-9-5-6-10-17(16)14-18/h5-6,9-12,14-15H,1-4,7-8,13H2,(H,23,24)(H,25,26)
InChIKeyJQRLTOJZUMAXPT-UHFFFAOYSA-N
XLogP5.44
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.45
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(cycloheptylmethyl)-2-naphthalen-2-yl-1H-imidazole-4-carboxylic acid?
The IUPAC name of 5-(cycloheptylmethyl)-2-naphthalen-2-yl-1H-imidazole-4-carboxylic acid (CID 11559331) is 5-(cycloheptylmethyl)-2-naphthalen-2-yl-1H-imidazole-4-carboxylic acid.
What is the SMILES notation for 5-(cycloheptylmethyl)-2-naphthalen-2-yl-1H-imidazole-4-carboxylic acid?
The canonical SMILES for 5-(cycloheptylmethyl)-2-naphthalen-2-yl-1H-imidazole-4-carboxylic acid is O=C(O)c1nc(-c2ccc3ccccc3c2)[nH]c1CC1CCCCCC1.
What is the InChIKey of 5-(cycloheptylmethyl)-2-naphthalen-2-yl-1H-imidazole-4-carboxylic acid?
The InChIKey is JQRLTOJZUMAXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c25-22(26)20-19(13-15-7-3-1-2-4-8-15)23-21(24-20)18-12-11-16-9-5-6-10-17(16)14-18/h5-6,9-12,14-15H,1-4,7-8,13H2,(H,23,24)(H,25,26).
What are the key properties of 5-(cycloheptylmethyl)-2-naphthalen-2-yl-1H-imidazole-4-carboxylic acid?
5-(cycloheptylmethyl)-2-naphthalen-2-yl-1H-imidazole-4-carboxylic acid has a molecular weight of 348.45 g/mol, XLogP of 5.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cycloheptylmethyl)-2-naphthalen-2-yl-1H-imidazole-4-carboxylic acid is sourced from PubChem (CID 11559331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).