N-[3,5-bis(trifluoromethyl)phenyl]-5,6-difluoro-1H-benzimidazol-2-amine

C15H7F8N3 — CID 170765023

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-5,6-difluoro-1H-benzimidazol-2-amine
SMILESFc1cc2nc(Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2cc1F
InChIInChI=1S/C15H7F8N3/c16-9-4-11-12(5-10(9)17)26-13(25-11)24-8-2-6(14(18,19)20)1-7(3-8)15(21,22)23/h1-5H,(H2,24,25,26)
InChIKeyAUNAMFFLXGTAPP-UHFFFAOYSA-N
MW381.23 g/mol
LogP5.62
Rot. Bonds2

About N-[3,5-bis(trifluoromethyl)phenyl]-5,6-difluoro-1H-benzimidazol-2-amine

N-[3,5-bis(trifluoromethyl)phenyl]-5,6-difluoro-1H-benzimidazol-2-amine (PubChem CID 170765023) has the molecular formula C15H7F8N3 and a molecular weight of 381.23 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-5,6-difluoro-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-5,6-difluoro-1H-benzimidazol-2-amine
PubChem CID170765023
Molecular FormulaC15H7F8N3
Molecular Weight381.23 g/mol
Exact Mass381.05
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-5,6-difluoro-1H-benzimidazol-2-amine
SMILESFc1cc2nc(Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2cc1F
InChIInChI=1S/C15H7F8N3/c16-9-4-11-12(5-10(9)17)26-13(25-11)24-8-2-6(14(18,19)20)1-7(3-8)15(21,22)23/h1-5H,(H2,24,25,26)
InChIKeyAUNAMFFLXGTAPP-UHFFFAOYSA-N
XLogP5.62
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.23
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5,6-difluoro-N-methyl-1H-benzimidazol-2-amine
CID 175083308
N-(4-fluoro-1H-indol-6-yl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine
CID 164539998
5,6-difluoro-2-[3-(trifluoromethyl)phenyl]-1H-benzimidazole
CID 60980278
5,6-dichloro-N-(3,4-dichlorophenyl)-1H-benzimidazol-2-amine
CID 24970680
1-(1H-benzimidazol-2-yl)-3-[3,5-bis(trifluoromethyl)phenyl]urea
CID 166873254
2-(5,6-difluoro-1H-benzimidazol-2-yl)-1,1,1-trifluoropropan-2-amine
CID 79798993
N-(3,5-difluorophenyl)-1H-benzimidazol-2-amine
CID 15604437
5-chloro-6-fluoro-N-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-benzimidazol-2-amine
CID 11293135
6-chloro-N-(3,5-dichlorophenyl)-1H-benzimidazol-2-amine;hydrochloride
CID 24970552
1-[4-[4-[(5,6-difluoro-1H-benzimidazol-2-yl)amino]phenyl]benzoyl]cyclopentane-1-carboxylic acid
CID 86634970
1-N,4-N-bis(6-chloro-1H-benzimidazol-2-yl)benzene-1,4-diamine
CID 14688884
4-methyl-2-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]-1H-pyrimidin-6-one
CID 135590508

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-5,6-difluoro-1H-benzimidazol-2-amine?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-5,6-difluoro-1H-benzimidazol-2-amine (CID 170765023) is N-[3,5-bis(trifluoromethyl)phenyl]-5,6-difluoro-1H-benzimidazol-2-amine.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-5,6-difluoro-1H-benzimidazol-2-amine?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-5,6-difluoro-1H-benzimidazol-2-amine is Fc1cc2nc(Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2cc1F.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-5,6-difluoro-1H-benzimidazol-2-amine?
The InChIKey is AUNAMFFLXGTAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7F8N3/c16-9-4-11-12(5-10(9)17)26-13(25-11)24-8-2-6(14(18,19)20)1-7(3-8)15(21,22)23/h1-5H,(H2,24,25,26).
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-5,6-difluoro-1H-benzimidazol-2-amine?
N-[3,5-bis(trifluoromethyl)phenyl]-5,6-difluoro-1H-benzimidazol-2-amine has a molecular weight of 381.23 g/mol, XLogP of 5.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-5,6-difluoro-1H-benzimidazol-2-amine is sourced from PubChem (CID 170765023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).