4,6-difluoro-1-(2-imidazol-1-ylethyl)benzimidazol-2-amine

C12H11F2N5 — CID 115508709

IUPAC4,6-difluoro-1-(2-imidazol-1-ylethyl)benzimidazol-2-amine
SMILESNc1nc2c(F)cc(F)cc2n1CCn1ccnc1
InChIInChI=1S/C12H11F2N5/c13-8-5-9(14)11-10(6-8)19(12(15)17-11)4-3-18-2-1-16-7-18/h1-2,5-7H,3-4H2,(H2,15,17)
InChIKeyZZTAQBKOAUAIFZ-UHFFFAOYSA-N
MW263.25 g/mol
LogP1.79
Rot. Bonds3

About 4,6-difluoro-1-(2-imidazol-1-ylethyl)benzimidazol-2-amine

4,6-difluoro-1-(2-imidazol-1-ylethyl)benzimidazol-2-amine (PubChem CID 115508709) has the molecular formula C12H11F2N5 and a molecular weight of 263.25 g/mol. Its IUPAC name is 4,6-difluoro-1-(2-imidazol-1-ylethyl)benzimidazol-2-amine.

Molecular Properties

Compound Name4,6-difluoro-1-(2-imidazol-1-ylethyl)benzimidazol-2-amine
PubChem CID115508709
Molecular FormulaC12H11F2N5
Molecular Weight263.25 g/mol
Exact Mass263.10
IUPAC Name4,6-difluoro-1-(2-imidazol-1-ylethyl)benzimidazol-2-amine
SMILESNc1nc2c(F)cc(F)cc2n1CCn1ccnc1
InChIInChI=1S/C12H11F2N5/c13-8-5-9(14)11-10(6-8)19(12(15)17-11)4-3-18-2-1-16-7-18/h1-2,5-7H,3-4H2,(H2,15,17)
InChIKeyZZTAQBKOAUAIFZ-UHFFFAOYSA-N
XLogP1.79
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-chloroethyl)-4,6-difluoro-1-(2-imidazol-1-ylethyl)benzimidazole
CID 115509278
5-fluoro-1-(2-imidazol-1-ylethyl)benzimidazol-2-amine
CID 54951192
4,6-difluoro-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine
CID 115508865
4,6-difluoro-1-(3-methylsulfonylpropyl)benzimidazol-2-amine
CID 115508787
1-(cyclopentylmethyl)-4,6-difluorobenzimidazol-2-amine
CID 113325607
2-(chloromethyl)-6-fluoro-1-(2-imidazol-1-ylethyl)benzimidazole
CID 62375839
4,6-difluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-2-amine
CID 106406005
4,6-difluoro-1-(2,3,3-trimethylbutyl)benzimidazol-2-amine
CID 83143532
4,6-difluoro-1-(2-methyl-3-methylsulfanylpropyl)benzimidazol-2-amine
CID 115508892
4,6-difluoro-1-(2,4,6-trifluorophenyl)benzimidazol-2-amine
CID 115508935
5-bromo-2-(2-chloroethyl)-6-fluoro-1-(2-imidazol-1-ylethyl)benzimidazole
CID 66086160
4,6-difluoro-1-(thiophen-3-ylmethyl)benzimidazol-2-amine
CID 115508867

Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-1-(2-imidazol-1-ylethyl)benzimidazol-2-amine?
The IUPAC name of 4,6-difluoro-1-(2-imidazol-1-ylethyl)benzimidazol-2-amine (CID 115508709) is 4,6-difluoro-1-(2-imidazol-1-ylethyl)benzimidazol-2-amine.
What is the SMILES notation for 4,6-difluoro-1-(2-imidazol-1-ylethyl)benzimidazol-2-amine?
The canonical SMILES for 4,6-difluoro-1-(2-imidazol-1-ylethyl)benzimidazol-2-amine is Nc1nc2c(F)cc(F)cc2n1CCn1ccnc1.
What is the InChIKey of 4,6-difluoro-1-(2-imidazol-1-ylethyl)benzimidazol-2-amine?
The InChIKey is ZZTAQBKOAUAIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N5/c13-8-5-9(14)11-10(6-8)19(12(15)17-11)4-3-18-2-1-16-7-18/h1-2,5-7H,3-4H2,(H2,15,17).
What are the key properties of 4,6-difluoro-1-(2-imidazol-1-ylethyl)benzimidazol-2-amine?
4,6-difluoro-1-(2-imidazol-1-ylethyl)benzimidazol-2-amine has a molecular weight of 263.25 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-1-(2-imidazol-1-ylethyl)benzimidazol-2-amine is sourced from PubChem (CID 115508709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).