1-(4-hydroxy-3,5-dimethoxyphenyl)-2-propan-2-ylbenzimidazole-5-carboxylic acid

C19H20N2O5 — CID 155533934

IUPAC1-(4-hydroxy-3,5-dimethoxyphenyl)-2-propan-2-ylbenzimidazole-5-carboxylic acid
SMILESCOc1cc(-n2c(C(C)C)nc3cc(C(=O)O)ccc32)cc(OC)c1O
InChIInChI=1S/C19H20N2O5/c1-10(2)18-20-13-7-11(19(23)24)5-6-14(13)21(18)12-8-15(25-3)17(22)16(9-12)26-4/h5-10,22H,1-4H3,(H,23,24)
InChIKeyDHMISXSMCMSECB-UHFFFAOYSA-N
MW356.38 g/mol
LogP3.57
Rot. Bonds5

About 1-(4-hydroxy-3,5-dimethoxyphenyl)-2-propan-2-ylbenzimidazole-5-carboxylic acid

1-(4-hydroxy-3,5-dimethoxyphenyl)-2-propan-2-ylbenzimidazole-5-carboxylic acid (PubChem CID 155533934) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is 1-(4-hydroxy-3,5-dimethoxyphenyl)-2-propan-2-ylbenzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name1-(4-hydroxy-3,5-dimethoxyphenyl)-2-propan-2-ylbenzimidazole-5-carboxylic acid
PubChem CID155533934
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name1-(4-hydroxy-3,5-dimethoxyphenyl)-2-propan-2-ylbenzimidazole-5-carboxylic acid
SMILESCOc1cc(-n2c(C(C)C)nc3cc(C(=O)O)ccc32)cc(OC)c1O
InChIInChI=1S/C19H20N2O5/c1-10(2)18-20-13-7-11(19(23)24)5-6-14(13)21(18)12-8-15(25-3)17(22)16(9-12)26-4/h5-10,22H,1-4H3,(H,23,24)
InChIKeyDHMISXSMCMSECB-UHFFFAOYSA-N
XLogP3.57
TPSA93.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-3,5-dimethoxyphenyl)-2-propan-2-ylbenzimidazole-5-carboxylic acid?
The IUPAC name of 1-(4-hydroxy-3,5-dimethoxyphenyl)-2-propan-2-ylbenzimidazole-5-carboxylic acid (CID 155533934) is 1-(4-hydroxy-3,5-dimethoxyphenyl)-2-propan-2-ylbenzimidazole-5-carboxylic acid.
What is the SMILES notation for 1-(4-hydroxy-3,5-dimethoxyphenyl)-2-propan-2-ylbenzimidazole-5-carboxylic acid?
The canonical SMILES for 1-(4-hydroxy-3,5-dimethoxyphenyl)-2-propan-2-ylbenzimidazole-5-carboxylic acid is COc1cc(-n2c(C(C)C)nc3cc(C(=O)O)ccc32)cc(OC)c1O.
What is the InChIKey of 1-(4-hydroxy-3,5-dimethoxyphenyl)-2-propan-2-ylbenzimidazole-5-carboxylic acid?
The InChIKey is DHMISXSMCMSECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5/c1-10(2)18-20-13-7-11(19(23)24)5-6-14(13)21(18)12-8-15(25-3)17(22)16(9-12)26-4/h5-10,22H,1-4H3,(H,23,24).
What are the key properties of 1-(4-hydroxy-3,5-dimethoxyphenyl)-2-propan-2-ylbenzimidazole-5-carboxylic acid?
1-(4-hydroxy-3,5-dimethoxyphenyl)-2-propan-2-ylbenzimidazole-5-carboxylic acid has a molecular weight of 356.38 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-3,5-dimethoxyphenyl)-2-propan-2-ylbenzimidazole-5-carboxylic acid is sourced from PubChem (CID 155533934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).