1-[2,6-di(propan-2-yl)phenyl]imidazole-2-carboxylic acid

C16H20N2O2 — CID 69081563

IUPAC1-[2,6-di(propan-2-yl)phenyl]imidazole-2-carboxylic acid
SMILESCC(C)c1cccc(C(C)C)c1-n1ccnc1C(=O)O
InChIInChI=1S/C16H20N2O2/c1-10(2)12-6-5-7-13(11(3)4)14(12)18-9-8-17-15(18)16(19)20/h5-11H,1-4H3,(H,19,20)
InChIKeyZRIJWPJSFXRZSK-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.82
Rot. Bonds4

About 1-[2,6-di(propan-2-yl)phenyl]imidazole-2-carboxylic acid

1-[2,6-di(propan-2-yl)phenyl]imidazole-2-carboxylic acid (PubChem CID 69081563) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-[2,6-di(propan-2-yl)phenyl]imidazole-2-carboxylic acid.

Molecular Properties

Compound Name1-[2,6-di(propan-2-yl)phenyl]imidazole-2-carboxylic acid
PubChem CID69081563
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-[2,6-di(propan-2-yl)phenyl]imidazole-2-carboxylic acid
SMILESCC(C)c1cccc(C(C)C)c1-n1ccnc1C(=O)O
InChIInChI=1S/C16H20N2O2/c1-10(2)12-6-5-7-13(11(3)4)14(12)18-9-8-17-15(18)16(19)20/h5-11H,1-4H3,(H,19,20)
InChIKeyZRIJWPJSFXRZSK-UHFFFAOYSA-N
XLogP3.82
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]benzoate
CID 72696305
1-pyrimidin-2-ylimidazole-2-carboxylic acid
CID 130640830
1-(3-fluorophenyl)imidazole-2-carboxylic acid
CID 83882652
1-[2,6-di(propan-2-yl)phenyl]-2-[5-[3-[5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]pyrrol-1-id-2-yl]-2,3-dimethylbutan-2-yl]pyrrol-1-id-2-yl]imidazole;platinum(2+)
CID 162466983
1-(3-chloro-2-pyridinyl)imidazole-2-carboxylic acid
CID 130698719
[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]cobalt
CID 155661815
1-[2,6-di(propan-2-yl)phenyl]-2-[3-[3-[1-[4-[4-(2-phenylimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenoxy]phenyl]imidazole
CID 140803144
[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]palladium;hydrate
CID 141164951
[(7S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl] N-[2,6-di(propan-2-yl)phenyl]carbamate
CID 167428317
1-pyrazin-2-ylimidazole-2-carboxylic acid
CID 130609995
1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-carbothioate
CID 56931456
N-[2,6-di(propan-2-yl)phenyl]-2-methylpyrimidine-4-carboxamide
CID 60547417

Frequently Asked Questions

What is the IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]imidazole-2-carboxylic acid?
The IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]imidazole-2-carboxylic acid (CID 69081563) is 1-[2,6-di(propan-2-yl)phenyl]imidazole-2-carboxylic acid.
What is the SMILES notation for 1-[2,6-di(propan-2-yl)phenyl]imidazole-2-carboxylic acid?
The canonical SMILES for 1-[2,6-di(propan-2-yl)phenyl]imidazole-2-carboxylic acid is CC(C)c1cccc(C(C)C)c1-n1ccnc1C(=O)O.
What is the InChIKey of 1-[2,6-di(propan-2-yl)phenyl]imidazole-2-carboxylic acid?
The InChIKey is ZRIJWPJSFXRZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-10(2)12-6-5-7-13(11(3)4)14(12)18-9-8-17-15(18)16(19)20/h5-11H,1-4H3,(H,19,20).
What are the key properties of 1-[2,6-di(propan-2-yl)phenyl]imidazole-2-carboxylic acid?
1-[2,6-di(propan-2-yl)phenyl]imidazole-2-carboxylic acid has a molecular weight of 272.35 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-di(propan-2-yl)phenyl]imidazole-2-carboxylic acid is sourced from PubChem (CID 69081563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).