2-[2-[[1-(naphthalen-1-ylmethyl)imidazol-2-yl]carbamoyl]phenoxy]acetic acid

C23H19N3O4 — CID 91990775

IUPAC2-[2-[[1-(naphthalen-1-ylmethyl)imidazol-2-yl]carbamoyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccccc1C(=O)Nc1nccn1Cc1cccc2ccccc12
InChIInChI=1S/C23H19N3O4/c27-21(28)15-30-20-11-4-3-10-19(20)22(29)25-23-24-12-13-26(23)14-17-8-5-7-16-6-1-2-9-18(16)17/h1-13H,14-15H2,(H,27,28)(H,24,25,29)
InChIKeyDTBHLPBSMDXWCY-UHFFFAOYSA-N
MW401.42 g/mol
LogP3.80
Rot. Bonds7

About 2-[2-[[1-(naphthalen-1-ylmethyl)imidazol-2-yl]carbamoyl]phenoxy]acetic acid

2-[2-[[1-(naphthalen-1-ylmethyl)imidazol-2-yl]carbamoyl]phenoxy]acetic acid (PubChem CID 91990775) has the molecular formula C23H19N3O4 and a molecular weight of 401.42 g/mol. Its IUPAC name is 2-[2-[[1-(naphthalen-1-ylmethyl)imidazol-2-yl]carbamoyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[[1-(naphthalen-1-ylmethyl)imidazol-2-yl]carbamoyl]phenoxy]acetic acid
PubChem CID91990775
Molecular FormulaC23H19N3O4
Molecular Weight401.42 g/mol
Exact Mass401.14
IUPAC Name2-[2-[[1-(naphthalen-1-ylmethyl)imidazol-2-yl]carbamoyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccccc1C(=O)Nc1nccn1Cc1cccc2ccccc12
InChIInChI=1S/C23H19N3O4/c27-21(28)15-30-20-11-4-3-10-19(20)22(29)25-23-24-12-13-26(23)14-17-8-5-7-16-6-1-2-9-18(16)17/h1-13H,14-15H2,(H,27,28)(H,24,25,29)
InChIKeyDTBHLPBSMDXWCY-UHFFFAOYSA-N
XLogP3.80
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[1-(naphthalen-1-ylmethyl)imidazol-2-yl]carbamoyl]phenoxy]acetic acid?
The IUPAC name of 2-[2-[[1-(naphthalen-1-ylmethyl)imidazol-2-yl]carbamoyl]phenoxy]acetic acid (CID 91990775) is 2-[2-[[1-(naphthalen-1-ylmethyl)imidazol-2-yl]carbamoyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-[[1-(naphthalen-1-ylmethyl)imidazol-2-yl]carbamoyl]phenoxy]acetic acid?
The canonical SMILES for 2-[2-[[1-(naphthalen-1-ylmethyl)imidazol-2-yl]carbamoyl]phenoxy]acetic acid is O=C(O)COc1ccccc1C(=O)Nc1nccn1Cc1cccc2ccccc12.
What is the InChIKey of 2-[2-[[1-(naphthalen-1-ylmethyl)imidazol-2-yl]carbamoyl]phenoxy]acetic acid?
The InChIKey is DTBHLPBSMDXWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O4/c27-21(28)15-30-20-11-4-3-10-19(20)22(29)25-23-24-12-13-26(23)14-17-8-5-7-16-6-1-2-9-18(16)17/h1-13H,14-15H2,(H,27,28)(H,24,25,29).
What are the key properties of 2-[2-[[1-(naphthalen-1-ylmethyl)imidazol-2-yl]carbamoyl]phenoxy]acetic acid?
2-[2-[[1-(naphthalen-1-ylmethyl)imidazol-2-yl]carbamoyl]phenoxy]acetic acid has a molecular weight of 401.42 g/mol, XLogP of 3.80, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[1-(naphthalen-1-ylmethyl)imidazol-2-yl]carbamoyl]phenoxy]acetic acid is sourced from PubChem (CID 91990775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).