1-(2-hydroxy-3-methoxyphenyl)-2-propan-2-ylbenzimidazole-5-carboxylic acid

C18H18N2O4 — CID 155560917

IUPAC1-(2-hydroxy-3-methoxyphenyl)-2-propan-2-ylbenzimidazole-5-carboxylic acid
SMILESCOc1cccc(-n2c(C(C)C)nc3cc(C(=O)O)ccc32)c1O
InChIInChI=1S/C18H18N2O4/c1-10(2)17-19-12-9-11(18(22)23)7-8-13(12)20(17)14-5-4-6-15(24-3)16(14)21/h4-10,21H,1-3H3,(H,22,23)
InChIKeyGYSFUOPWGOBFTP-UHFFFAOYSA-N
MW326.35 g/mol
LogP3.56
Rot. Bonds4

About 1-(2-hydroxy-3-methoxyphenyl)-2-propan-2-ylbenzimidazole-5-carboxylic acid

1-(2-hydroxy-3-methoxyphenyl)-2-propan-2-ylbenzimidazole-5-carboxylic acid (PubChem CID 155560917) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 1-(2-hydroxy-3-methoxyphenyl)-2-propan-2-ylbenzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name1-(2-hydroxy-3-methoxyphenyl)-2-propan-2-ylbenzimidazole-5-carboxylic acid
PubChem CID155560917
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name1-(2-hydroxy-3-methoxyphenyl)-2-propan-2-ylbenzimidazole-5-carboxylic acid
SMILESCOc1cccc(-n2c(C(C)C)nc3cc(C(=O)O)ccc32)c1O
InChIInChI=1S/C18H18N2O4/c1-10(2)17-19-12-9-11(18(22)23)7-8-13(12)20(17)14-5-4-6-15(24-3)16(14)21/h4-10,21H,1-3H3,(H,22,23)
InChIKeyGYSFUOPWGOBFTP-UHFFFAOYSA-N
XLogP3.56
TPSA84.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-3-methoxyphenyl)-2-propan-2-ylbenzimidazole-5-carboxylic acid?
The IUPAC name of 1-(2-hydroxy-3-methoxyphenyl)-2-propan-2-ylbenzimidazole-5-carboxylic acid (CID 155560917) is 1-(2-hydroxy-3-methoxyphenyl)-2-propan-2-ylbenzimidazole-5-carboxylic acid.
What is the SMILES notation for 1-(2-hydroxy-3-methoxyphenyl)-2-propan-2-ylbenzimidazole-5-carboxylic acid?
The canonical SMILES for 1-(2-hydroxy-3-methoxyphenyl)-2-propan-2-ylbenzimidazole-5-carboxylic acid is COc1cccc(-n2c(C(C)C)nc3cc(C(=O)O)ccc32)c1O.
What is the InChIKey of 1-(2-hydroxy-3-methoxyphenyl)-2-propan-2-ylbenzimidazole-5-carboxylic acid?
The InChIKey is GYSFUOPWGOBFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-10(2)17-19-12-9-11(18(22)23)7-8-13(12)20(17)14-5-4-6-15(24-3)16(14)21/h4-10,21H,1-3H3,(H,22,23).
What are the key properties of 1-(2-hydroxy-3-methoxyphenyl)-2-propan-2-ylbenzimidazole-5-carboxylic acid?
1-(2-hydroxy-3-methoxyphenyl)-2-propan-2-ylbenzimidazole-5-carboxylic acid has a molecular weight of 326.35 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-3-methoxyphenyl)-2-propan-2-ylbenzimidazole-5-carboxylic acid is sourced from PubChem (CID 155560917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).