4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenyl-1H-imidazole-5-carboxylic acid

C15H17N3O4 — CID 58182168

IUPAC4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenyl-1H-imidazole-5-carboxylic acid
SMILESCC(C)(C)OC(=O)Nc1nc(-c2ccccc2)[nH]c1C(=O)O
InChIInChI=1S/C15H17N3O4/c1-15(2,3)22-14(21)18-12-10(13(19)20)16-11(17-12)9-7-5-4-6-8-9/h4-8H,1-3H3,(H,16,17)(H,18,21)(H,19,20)
InChIKeyOAAOEFILGSUQMD-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.12
Rot. Bonds3

About 4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenyl-1H-imidazole-5-carboxylic acid

4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenyl-1H-imidazole-5-carboxylic acid (PubChem CID 58182168) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is 4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenyl-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenyl-1H-imidazole-5-carboxylic acid
PubChem CID58182168
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Name4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenyl-1H-imidazole-5-carboxylic acid
SMILESCC(C)(C)OC(=O)Nc1nc(-c2ccccc2)[nH]c1C(=O)O
InChIInChI=1S/C15H17N3O4/c1-15(2,3)22-14(21)18-12-10(13(19)20)16-11(17-12)9-7-5-4-6-8-9/h4-8H,1-3H3,(H,16,17)(H,18,21)(H,19,20)
InChIKeyOAAOEFILGSUQMD-UHFFFAOYSA-N
XLogP3.12
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[2-(4-fluorophenyl)-5-phenyl-1H-imidazol-4-yl]carbamate;hydrochloride
CID 67547638
ethane;5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenyl-1,3-thiazole-4-carboxylic acid
CID 144595105
tert-butyl N-(2-phenyl-1H-indol-5-yl)carbamate
CID 86048174
3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylfuran-2-carboxylic acid
CID 16655147
tert-butyl N-(4-anilino-6-phenyl-1,3,5-triazin-2-yl)carbamate
CID 71605067
2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 134858884
2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylbenzoic acid
CID 118990603
tert-butyl N-phenylcarbamate;ethane;molecular hydrogen
CID 143200199
2-methoxycarbonyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenylpyridine-3-carboxylic acid
CID 174848099
2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-3-phenyl-1,2,4-triazin-4-yl]acetic acid
CID 70240797
2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-pyridin-3-ylthiophene-3-carboxylic acid
CID 59373450
tert-butyl N-[2,4-bis(difluoromethyl)quinolin-3-yl]carbamate
CID 155691123

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenyl-1H-imidazole-5-carboxylic acid?
The IUPAC name of 4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenyl-1H-imidazole-5-carboxylic acid (CID 58182168) is 4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenyl-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenyl-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenyl-1H-imidazole-5-carboxylic acid is CC(C)(C)OC(=O)Nc1nc(-c2ccccc2)[nH]c1C(=O)O.
What is the InChIKey of 4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenyl-1H-imidazole-5-carboxylic acid?
The InChIKey is OAAOEFILGSUQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-15(2,3)22-14(21)18-12-10(13(19)20)16-11(17-12)9-7-5-4-6-8-9/h4-8H,1-3H3,(H,16,17)(H,18,21)(H,19,20).
What are the key properties of 4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenyl-1H-imidazole-5-carboxylic acid?
4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenyl-1H-imidazole-5-carboxylic acid has a molecular weight of 303.32 g/mol, XLogP of 3.12, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenyl-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 58182168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).