2-amino-4-(3,4-difluorophenyl)-1H-imidazole-5-carboxylic acid

C10H7F2N3O2 — CID 82477054

IUPAC2-amino-4-(3,4-difluorophenyl)-1H-imidazole-5-carboxylic acid
SMILESNc1nc(-c2ccc(F)c(F)c2)c(C(=O)O)[nH]1
InChIInChI=1S/C10H7F2N3O2/c11-5-2-1-4(3-6(5)12)7-8(9(16)17)15-10(13)14-7/h1-3H,(H,16,17)(H3,13,14,15)
InChIKeyZOMYFTOXZIPNRD-UHFFFAOYSA-N
MW239.18 g/mol
LogP1.64
Rot. Bonds2

About 2-amino-4-(3,4-difluorophenyl)-1H-imidazole-5-carboxylic acid

2-amino-4-(3,4-difluorophenyl)-1H-imidazole-5-carboxylic acid (PubChem CID 82477054) has the molecular formula C10H7F2N3O2 and a molecular weight of 239.18 g/mol. Its IUPAC name is 2-amino-4-(3,4-difluorophenyl)-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-amino-4-(3,4-difluorophenyl)-1H-imidazole-5-carboxylic acid
PubChem CID82477054
Molecular FormulaC10H7F2N3O2
Molecular Weight239.18 g/mol
Exact Mass239.05
IUPAC Name2-amino-4-(3,4-difluorophenyl)-1H-imidazole-5-carboxylic acid
SMILESNc1nc(-c2ccc(F)c(F)c2)c(C(=O)O)[nH]1
InChIInChI=1S/C10H7F2N3O2/c11-5-2-1-4(3-6(5)12)7-8(9(16)17)15-10(13)14-7/h1-3H,(H,16,17)(H3,13,14,15)
InChIKeyZOMYFTOXZIPNRD-UHFFFAOYSA-N
XLogP1.64
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.18
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-(4-fluorophenyl)-1H-imidazole-5-carboxylic acid
CID 82472728
2-amino-4-(3-bromophenyl)-1H-imidazole-5-carboxylic acid
CID 82489405
2-amino-4-(3-methoxyphenyl)-1H-imidazole-5-carboxylic acid
CID 82475428
4-(4-fluoro-3-methylphenyl)-2-methylsulfanyl-1H-imidazole-5-carboxylic acid
CID 116824076
4-(3-amino-4-fluorophenyl)-5-methyl-1H-imidazol-2-amine
CID 115024516
5-(3,4-difluorophenyl)-2-sulfanylidene-1,3-dihydroimidazole-4-carboxylic acid
CID 116824051
4-(3,4-difluorophenyl)-2-oxo-1H-pyrimidine-6-carboxylic acid
CID 79021570
3-amino-2-(3,4-difluorophenyl)imidazo[1,2-a]pyridine-8-carboxylic acid
CID 82355927
4-(3,4-difluorophenyl)-1,3-oxazole-5-carboxylic acid
CID 82287519
3-amino-4-(4-ethoxy-3-fluorophenyl)-1H-pyrazole-5-carboxylic acid
CID 82486573
2-amino-8-(3,4-difluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 82556895
2-(4-fluorophenyl)-4-pyridin-4-yl-1H-imidazole-5-carboxylic acid
CID 70249057

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3,4-difluorophenyl)-1H-imidazole-5-carboxylic acid?
The IUPAC name of 2-amino-4-(3,4-difluorophenyl)-1H-imidazole-5-carboxylic acid (CID 82477054) is 2-amino-4-(3,4-difluorophenyl)-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 2-amino-4-(3,4-difluorophenyl)-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 2-amino-4-(3,4-difluorophenyl)-1H-imidazole-5-carboxylic acid is Nc1nc(-c2ccc(F)c(F)c2)c(C(=O)O)[nH]1.
What is the InChIKey of 2-amino-4-(3,4-difluorophenyl)-1H-imidazole-5-carboxylic acid?
The InChIKey is ZOMYFTOXZIPNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2N3O2/c11-5-2-1-4(3-6(5)12)7-8(9(16)17)15-10(13)14-7/h1-3H,(H,16,17)(H3,13,14,15).
What are the key properties of 2-amino-4-(3,4-difluorophenyl)-1H-imidazole-5-carboxylic acid?
2-amino-4-(3,4-difluorophenyl)-1H-imidazole-5-carboxylic acid has a molecular weight of 239.18 g/mol, XLogP of 1.64, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3,4-difluorophenyl)-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 82477054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).