4-tert-butyl-1-[(2,4,6-trimethylphenyl)methyl]imidazole-2-carboxylic acid

C18H24N2O2 — CID 121251664

IUPAC4-tert-butyl-1-[(2,4,6-trimethylphenyl)methyl]imidazole-2-carboxylic acid
SMILESCc1cc(C)c(Cn2cc(C(C)(C)C)nc2C(=O)O)c(C)c1
InChIInChI=1S/C18H24N2O2/c1-11-7-12(2)14(13(3)8-11)9-20-10-15(18(4,5)6)19-16(20)17(21)22/h7-8,10H,9H2,1-6H3,(H,21,22)
InChIKeyNNJNFIHHAJDORY-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.85
Rot. Bonds3

About 4-tert-butyl-1-[(2,4,6-trimethylphenyl)methyl]imidazole-2-carboxylic acid

4-tert-butyl-1-[(2,4,6-trimethylphenyl)methyl]imidazole-2-carboxylic acid (PubChem CID 121251664) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 4-tert-butyl-1-[(2,4,6-trimethylphenyl)methyl]imidazole-2-carboxylic acid.

Molecular Properties

Compound Name4-tert-butyl-1-[(2,4,6-trimethylphenyl)methyl]imidazole-2-carboxylic acid
PubChem CID121251664
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name4-tert-butyl-1-[(2,4,6-trimethylphenyl)methyl]imidazole-2-carboxylic acid
SMILESCc1cc(C)c(Cn2cc(C(C)(C)C)nc2C(=O)O)c(C)c1
InChIInChI=1S/C18H24N2O2/c1-11-7-12(2)14(13(3)8-11)9-20-10-15(18(4,5)6)19-16(20)17(21)22/h7-8,10H,9H2,1-6H3,(H,21,22)
InChIKeyNNJNFIHHAJDORY-UHFFFAOYSA-N
XLogP3.85
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-[(2,4,6-trimethylphenyl)methyl]imidazole-2-carboxylic acid?
The IUPAC name of 4-tert-butyl-1-[(2,4,6-trimethylphenyl)methyl]imidazole-2-carboxylic acid (CID 121251664) is 4-tert-butyl-1-[(2,4,6-trimethylphenyl)methyl]imidazole-2-carboxylic acid.
What is the SMILES notation for 4-tert-butyl-1-[(2,4,6-trimethylphenyl)methyl]imidazole-2-carboxylic acid?
The canonical SMILES for 4-tert-butyl-1-[(2,4,6-trimethylphenyl)methyl]imidazole-2-carboxylic acid is Cc1cc(C)c(Cn2cc(C(C)(C)C)nc2C(=O)O)c(C)c1.
What is the InChIKey of 4-tert-butyl-1-[(2,4,6-trimethylphenyl)methyl]imidazole-2-carboxylic acid?
The InChIKey is NNJNFIHHAJDORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-11-7-12(2)14(13(3)8-11)9-20-10-15(18(4,5)6)19-16(20)17(21)22/h7-8,10H,9H2,1-6H3,(H,21,22).
What are the key properties of 4-tert-butyl-1-[(2,4,6-trimethylphenyl)methyl]imidazole-2-carboxylic acid?
4-tert-butyl-1-[(2,4,6-trimethylphenyl)methyl]imidazole-2-carboxylic acid has a molecular weight of 300.40 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-[(2,4,6-trimethylphenyl)methyl]imidazole-2-carboxylic acid is sourced from PubChem (CID 121251664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).