4-(4,6-difluoro-1H-benzimidazol-2-yl)-1H-imidazole-5-carboxylic acid

C11H6F2N4O2 — CID 136991657

IUPAC4-(4,6-difluoro-1H-benzimidazol-2-yl)-1H-imidazole-5-carboxylic acid
SMILESO=C(O)c1[nH]cnc1-c1nc2c(F)cc(F)cc2[nH]1
InChIInChI=1S/C11H6F2N4O2/c12-4-1-5(13)7-6(2-4)16-10(17-7)8-9(11(18)19)15-3-14-8/h1-3H,(H,14,15)(H,16,17)(H,18,19)
InChIKeyIPQRHCLAGGGECH-UHFFFAOYSA-N
MW264.19 g/mol
LogP1.93
Rot. Bonds2

About 4-(4,6-difluoro-1H-benzimidazol-2-yl)-1H-imidazole-5-carboxylic acid

4-(4,6-difluoro-1H-benzimidazol-2-yl)-1H-imidazole-5-carboxylic acid (PubChem CID 136991657) has the molecular formula C11H6F2N4O2 and a molecular weight of 264.19 g/mol. Its IUPAC name is 4-(4,6-difluoro-1H-benzimidazol-2-yl)-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(4,6-difluoro-1H-benzimidazol-2-yl)-1H-imidazole-5-carboxylic acid
PubChem CID136991657
Molecular FormulaC11H6F2N4O2
Molecular Weight264.19 g/mol
Exact Mass264.05
IUPAC Name4-(4,6-difluoro-1H-benzimidazol-2-yl)-1H-imidazole-5-carboxylic acid
SMILESO=C(O)c1[nH]cnc1-c1nc2c(F)cc(F)cc2[nH]1
InChIInChI=1S/C11H6F2N4O2/c12-4-1-5(13)7-6(2-4)16-10(17-7)8-9(11(18)19)15-3-14-8/h1-3H,(H,14,15)(H,16,17)(H,18,19)
InChIKeyIPQRHCLAGGGECH-UHFFFAOYSA-N
XLogP1.93
TPSA94.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.19
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-1H-imidazole-5-carboxylic acid
CID 136999130
4-(4,5-difluoro-1H-benzimidazol-2-yl)-1H-imidazole-5-carboxylic acid
CID 136999132
4-(4-methyl-1H-benzimidazol-2-yl)-1H-imidazole-5-carboxylic acid
CID 136991636
4-(7H-purin-8-yl)-1H-imidazole-5-carboxylic acid
CID 114401826
2-(2,5-difluorophenyl)-4,6-difluoro-1H-benzimidazole
CID 81463378
2-[(4,6-difluoro-1H-benzimidazol-2-yl)methylsulfanyl]acetic acid
CID 104570612
2-(5-bromo-2-fluorophenyl)-4,6-difluoro-1H-benzimidazole
CID 81463556
2-(5-chloro-2-fluorophenyl)-6-fluoro-1H-benzimidazole-4-carboxylic acid
CID 103435825
4,6-difluoro-2-(3-fluorophenyl)-1H-benzimidazole
CID 81462567
3-(4,6-difluoro-1H-benzimidazol-2-yl)-1H-pyridazin-6-one
CID 136710717
5-(4,6-difluoro-1H-benzimidazol-2-yl)-4-methyl-1,3-thiazole
CID 81463558
4,6-difluoro-2-iodo-1H-benzimidazole
CID 143699120

Frequently Asked Questions

What is the IUPAC name of 4-(4,6-difluoro-1H-benzimidazol-2-yl)-1H-imidazole-5-carboxylic acid?
The IUPAC name of 4-(4,6-difluoro-1H-benzimidazol-2-yl)-1H-imidazole-5-carboxylic acid (CID 136991657) is 4-(4,6-difluoro-1H-benzimidazol-2-yl)-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 4-(4,6-difluoro-1H-benzimidazol-2-yl)-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 4-(4,6-difluoro-1H-benzimidazol-2-yl)-1H-imidazole-5-carboxylic acid is O=C(O)c1[nH]cnc1-c1nc2c(F)cc(F)cc2[nH]1.
What is the InChIKey of 4-(4,6-difluoro-1H-benzimidazol-2-yl)-1H-imidazole-5-carboxylic acid?
The InChIKey is IPQRHCLAGGGECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F2N4O2/c12-4-1-5(13)7-6(2-4)16-10(17-7)8-9(11(18)19)15-3-14-8/h1-3H,(H,14,15)(H,16,17)(H,18,19).
What are the key properties of 4-(4,6-difluoro-1H-benzimidazol-2-yl)-1H-imidazole-5-carboxylic acid?
4-(4,6-difluoro-1H-benzimidazol-2-yl)-1H-imidazole-5-carboxylic acid has a molecular weight of 264.19 g/mol, XLogP of 1.93, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,6-difluoro-1H-benzimidazol-2-yl)-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 136991657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).