1-[[4-methyl-5-[2-[5-(2-methylphenyl)-1H-imidazol-2-yl]pyrimidin-5-yl]-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid

C26H25N5O3 — CID 118134537

IUPAC1-[[4-methyl-5-[2-[5-(2-methylphenyl)-1H-imidazol-2-yl]pyrimidin-5-yl]-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid
SMILESCc1cc(OCC2(C(=O)O)CCC2)ncc1-c1cnc(-c2ncc(-c3ccccc3C)[nH]2)nc1
InChIInChI=1S/C26H25N5O3/c1-16-6-3-4-7-19(16)21-14-30-24(31-21)23-28-11-18(12-29-23)20-13-27-22(10-17(20)2)34-15-26(25(32)33)8-5-9-26/h3-4,6-7,10-14H,5,8-9,15H2,1-2H3,(H,30,31)(H,32,33)
InChIKeyWEGMWAHUANOJNP-UHFFFAOYSA-N
MW455.52 g/mol
LogP4.85
Rot. Bonds7

About 1-[[4-methyl-5-[2-[5-(2-methylphenyl)-1H-imidazol-2-yl]pyrimidin-5-yl]-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid

1-[[4-methyl-5-[2-[5-(2-methylphenyl)-1H-imidazol-2-yl]pyrimidin-5-yl]-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid (PubChem CID 118134537) has the molecular formula C26H25N5O3 and a molecular weight of 455.52 g/mol. Its IUPAC name is 1-[[4-methyl-5-[2-[5-(2-methylphenyl)-1H-imidazol-2-yl]pyrimidin-5-yl]-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[4-methyl-5-[2-[5-(2-methylphenyl)-1H-imidazol-2-yl]pyrimidin-5-yl]-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid
PubChem CID118134537
Molecular FormulaC26H25N5O3
Molecular Weight455.52 g/mol
Exact Mass455.20
IUPAC Name1-[[4-methyl-5-[2-[5-(2-methylphenyl)-1H-imidazol-2-yl]pyrimidin-5-yl]-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid
SMILESCc1cc(OCC2(C(=O)O)CCC2)ncc1-c1cnc(-c2ncc(-c3ccccc3C)[nH]2)nc1
InChIInChI=1S/C26H25N5O3/c1-16-6-3-4-7-19(16)21-14-30-24(31-21)23-28-11-18(12-29-23)20-13-27-22(10-17(20)2)34-15-26(25(32)33)8-5-9-26/h3-4,6-7,10-14H,5,8-9,15H2,1-2H3,(H,30,31)(H,32,33)
InChIKeyWEGMWAHUANOJNP-UHFFFAOYSA-N
XLogP4.85
TPSA113.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.52
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-methyl-5-[2-[5-(2-methylphenyl)-1H-imidazol-2-yl]pyrimidin-5-yl]-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[4-methyl-5-[2-[5-(2-methylphenyl)-1H-imidazol-2-yl]pyrimidin-5-yl]-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid (CID 118134537) is 1-[[4-methyl-5-[2-[5-(2-methylphenyl)-1H-imidazol-2-yl]pyrimidin-5-yl]-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[4-methyl-5-[2-[5-(2-methylphenyl)-1H-imidazol-2-yl]pyrimidin-5-yl]-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[4-methyl-5-[2-[5-(2-methylphenyl)-1H-imidazol-2-yl]pyrimidin-5-yl]-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid is Cc1cc(OCC2(C(=O)O)CCC2)ncc1-c1cnc(-c2ncc(-c3ccccc3C)[nH]2)nc1.
What is the InChIKey of 1-[[4-methyl-5-[2-[5-(2-methylphenyl)-1H-imidazol-2-yl]pyrimidin-5-yl]-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid?
The InChIKey is WEGMWAHUANOJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O3/c1-16-6-3-4-7-19(16)21-14-30-24(31-21)23-28-11-18(12-29-23)20-13-27-22(10-17(20)2)34-15-26(25(32)33)8-5-9-26/h3-4,6-7,10-14H,5,8-9,15H2,1-2H3,(H,30,31)(H,32,33).
What are the key properties of 1-[[4-methyl-5-[2-[5-(2-methylphenyl)-1H-imidazol-2-yl]pyrimidin-5-yl]-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid?
1-[[4-methyl-5-[2-[5-(2-methylphenyl)-1H-imidazol-2-yl]pyrimidin-5-yl]-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid has a molecular weight of 455.52 g/mol, XLogP of 4.85, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-methyl-5-[2-[5-(2-methylphenyl)-1H-imidazol-2-yl]pyrimidin-5-yl]-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 118134537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).