N-[2-chloro-5-(trifluoromethyl)phenyl]-1-methyl-5-[[2-[5-(trifluoromethyl)-4,5-dihydro-1H-imidazol-2-yl]-4-pyridinyl]oxy]benzimidazol-2-amine

C24H17ClF6N6O — CID 89374591

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-1-methyl-5-[[2-[5-(trifluoromethyl)-4,5-dihydro-1H-imidazol-2-yl]-4-pyridinyl]oxy]benzimidazol-2-amine
SMILESCn1c(Nc2cc(C(F)(F)F)ccc2Cl)nc2cc(Oc3ccnc(C4=NCC(C(F)(F)F)N4)c3)ccc21
InChIInChI=1S/C24H17ClF6N6O/c1-37-19-5-3-13(38-14-6-7-32-18(10-14)21-33-11-20(36-21)24(29,30)31)9-17(19)35-22(37)34-16-8-12(23(26,27)28)2-4-15(16)25/h2-10,20H,11H2,1H3,(H,33,36)(H,34,35)
InChIKeyOKENMASXFANARR-UHFFFAOYSA-N
MW554.88 g/mol
LogP6.46
Rot. Bonds5

About N-[2-chloro-5-(trifluoromethyl)phenyl]-1-methyl-5-[[2-[5-(trifluoromethyl)-4,5-dihydro-1H-imidazol-2-yl]-4-pyridinyl]oxy]benzimidazol-2-amine

N-[2-chloro-5-(trifluoromethyl)phenyl]-1-methyl-5-[[2-[5-(trifluoromethyl)-4,5-dihydro-1H-imidazol-2-yl]-4-pyridinyl]oxy]benzimidazol-2-amine (PubChem CID 89374591) has the molecular formula C24H17ClF6N6O and a molecular weight of 554.88 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-1-methyl-5-[[2-[5-(trifluoromethyl)-4,5-dihydro-1H-imidazol-2-yl]-4-pyridinyl]oxy]benzimidazol-2-amine.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-1-methyl-5-[[2-[5-(trifluoromethyl)-4,5-dihydro-1H-imidazol-2-yl]-4-pyridinyl]oxy]benzimidazol-2-amine
PubChem CID89374591
Molecular FormulaC24H17ClF6N6O
Molecular Weight554.88 g/mol
Exact Mass554.11
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-1-methyl-5-[[2-[5-(trifluoromethyl)-4,5-dihydro-1H-imidazol-2-yl]-4-pyridinyl]oxy]benzimidazol-2-amine
SMILESCn1c(Nc2cc(C(F)(F)F)ccc2Cl)nc2cc(Oc3ccnc(C4=NCC(C(F)(F)F)N4)c3)ccc21
InChIInChI=1S/C24H17ClF6N6O/c1-37-19-5-3-13(38-14-6-7-32-18(10-14)21-33-11-20(36-21)24(29,30)31)9-17(19)35-22(37)34-16-8-12(23(26,27)28)2-4-15(16)25/h2-10,20H,11H2,1H3,(H,33,36)(H,34,35)
InChIKeyOKENMASXFANARR-UHFFFAOYSA-N
XLogP6.46
TPSA76.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.88
LogP ≤ 56.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[2-chloro-5-(trifluoromethyl)phenyl]-1-methyl-5-[[2-[5-(trifluoromethyl)-4,5-dihydro-1H-imidazol-2-yl]-4-pyridinyl]oxy]benzimidazol-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-1-methyl-5-[[2-[5-(trifluoromethyl)-4,5-dihydro-1H-imidazol-2-yl]-4-pyridinyl]oxy]benzimidazol-2-amine?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-1-methyl-5-[[2-[5-(trifluoromethyl)-4,5-dihydro-1H-imidazol-2-yl]-4-pyridinyl]oxy]benzimidazol-2-amine (CID 89374591) is N-[2-chloro-5-(trifluoromethyl)phenyl]-1-methyl-5-[[2-[5-(trifluoromethyl)-4,5-dihydro-1H-imidazol-2-yl]-4-pyridinyl]oxy]benzimidazol-2-amine.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-1-methyl-5-[[2-[5-(trifluoromethyl)-4,5-dihydro-1H-imidazol-2-yl]-4-pyridinyl]oxy]benzimidazol-2-amine?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-1-methyl-5-[[2-[5-(trifluoromethyl)-4,5-dihydro-1H-imidazol-2-yl]-4-pyridinyl]oxy]benzimidazol-2-amine is Cn1c(Nc2cc(C(F)(F)F)ccc2Cl)nc2cc(Oc3ccnc(C4=NCC(C(F)(F)F)N4)c3)ccc21.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-1-methyl-5-[[2-[5-(trifluoromethyl)-4,5-dihydro-1H-imidazol-2-yl]-4-pyridinyl]oxy]benzimidazol-2-amine?
The InChIKey is OKENMASXFANARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClF6N6O/c1-37-19-5-3-13(38-14-6-7-32-18(10-14)21-33-11-20(36-21)24(29,30)31)9-17(19)35-22(37)34-16-8-12(23(26,27)28)2-4-15(16)25/h2-10,20H,11H2,1H3,(H,33,36)(H,34,35).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-1-methyl-5-[[2-[5-(trifluoromethyl)-4,5-dihydro-1H-imidazol-2-yl]-4-pyridinyl]oxy]benzimidazol-2-amine?
N-[2-chloro-5-(trifluoromethyl)phenyl]-1-methyl-5-[[2-[5-(trifluoromethyl)-4,5-dihydro-1H-imidazol-2-yl]-4-pyridinyl]oxy]benzimidazol-2-amine has a molecular weight of 554.88 g/mol, XLogP of 6.46, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-1-methyl-5-[[2-[5-(trifluoromethyl)-4,5-dihydro-1H-imidazol-2-yl]-4-pyridinyl]oxy]benzimidazol-2-amine is sourced from PubChem (CID 89374591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).