6-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]naphthalene-2-carboxylic acid

C29H26N4O3 — CID 71525071

IUPAC6-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]naphthalene-2-carboxylic acid
SMILESCN(C)CCOc1ccc(-c2nc(-c3ccc4cc(C(=O)O)ccc4c3)c(-c3ccncc3)[nH]2)cc1
InChIInChI=1S/C29H26N4O3/c1-33(2)15-16-36-25-9-7-20(8-10-25)28-31-26(19-11-13-30-14-12-19)27(32-28)23-5-3-22-18-24(29(34)35)6-4-21(22)17-23/h3-14,17-18H,15-16H2,1-2H3,(H,31,32)(H,34,35)
InChIKeyNALCJFRYJRGEAV-UHFFFAOYSA-N
MW478.55 g/mol
LogP5.60
Rot. Bonds8

About 6-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]naphthalene-2-carboxylic acid

6-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]naphthalene-2-carboxylic acid (PubChem CID 71525071) has the molecular formula C29H26N4O3 and a molecular weight of 478.55 g/mol. Its IUPAC name is 6-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name6-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]naphthalene-2-carboxylic acid
PubChem CID71525071
Molecular FormulaC29H26N4O3
Molecular Weight478.55 g/mol
Exact Mass478.20
IUPAC Name6-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]naphthalene-2-carboxylic acid
SMILESCN(C)CCOc1ccc(-c2nc(-c3ccc4cc(C(=O)O)ccc4c3)c(-c3ccncc3)[nH]2)cc1
InChIInChI=1S/C29H26N4O3/c1-33(2)15-16-36-25-9-7-20(8-10-25)28-31-26(19-11-13-30-14-12-19)27(32-28)23-5-3-22-18-24(29(34)35)6-4-21(22)17-23/h3-14,17-18H,15-16H2,1-2H3,(H,31,32)(H,34,35)
InChIKeyNALCJFRYJRGEAV-UHFFFAOYSA-N
XLogP5.60
TPSA91.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.55
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]naphthalene-2-carboxylic acid?
The IUPAC name of 6-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]naphthalene-2-carboxylic acid (CID 71525071) is 6-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]naphthalene-2-carboxylic acid.
What is the SMILES notation for 6-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]naphthalene-2-carboxylic acid?
The canonical SMILES for 6-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]naphthalene-2-carboxylic acid is CN(C)CCOc1ccc(-c2nc(-c3ccc4cc(C(=O)O)ccc4c3)c(-c3ccncc3)[nH]2)cc1.
What is the InChIKey of 6-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]naphthalene-2-carboxylic acid?
The InChIKey is NALCJFRYJRGEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N4O3/c1-33(2)15-16-36-25-9-7-20(8-10-25)28-31-26(19-11-13-30-14-12-19)27(32-28)23-5-3-22-18-24(29(34)35)6-4-21(22)17-23/h3-14,17-18H,15-16H2,1-2H3,(H,31,32)(H,34,35).
What are the key properties of 6-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]naphthalene-2-carboxylic acid?
6-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]naphthalene-2-carboxylic acid has a molecular weight of 478.55 g/mol, XLogP of 5.60, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]naphthalene-2-carboxylic acid is sourced from PubChem (CID 71525071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).