N-(cyclohexylmethyl)-5-[5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;ethane

C22H28F3N5 — CID 143545679

IUPACN-(cyclohexylmethyl)-5-[5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;ethane
SMILESCC.Cc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NCC2CCCCC2)cn1
InChIInChI=1S/C20H22F3N5.C2H6/c1-13-7-8-16-15(9-13)27-19(20(21,22)23)28(16)18-12-25-17(11-26-18)24-10-14-5-3-2-4-6-14;1-2/h7-9,11-12,14H,2-6,10H2,1H3,(H,24,25);1-2H3
InChIKeyBXOYWDLVKKVMOJ-UHFFFAOYSA-N
MW419.50 g/mol
LogP6.16
Rot. Bonds4

About N-(cyclohexylmethyl)-5-[5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;ethane

N-(cyclohexylmethyl)-5-[5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;ethane (PubChem CID 143545679) has the molecular formula C22H28F3N5 and a molecular weight of 419.50 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-5-[5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;ethane.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-5-[5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;ethane
PubChem CID143545679
Molecular FormulaC22H28F3N5
Molecular Weight419.50 g/mol
Exact Mass419.23
IUPAC NameN-(cyclohexylmethyl)-5-[5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;ethane
SMILESCC.Cc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NCC2CCCCC2)cn1
InChIInChI=1S/C20H22F3N5.C2H6/c1-13-7-8-16-15(9-13)27-19(20(21,22)23)28(16)18-12-25-17(11-26-18)24-10-14-5-3-2-4-6-14;1-2/h7-9,11-12,14H,2-6,10H2,1H3,(H,24,25);1-2H3
InChIKeyBXOYWDLVKKVMOJ-UHFFFAOYSA-N
XLogP6.16
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.50
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-5-[5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;ethane?
The IUPAC name of N-(cyclohexylmethyl)-5-[5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;ethane (CID 143545679) is N-(cyclohexylmethyl)-5-[5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;ethane.
What is the SMILES notation for N-(cyclohexylmethyl)-5-[5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;ethane?
The canonical SMILES for N-(cyclohexylmethyl)-5-[5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;ethane is CC.Cc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NCC2CCCCC2)cn1.
What is the InChIKey of N-(cyclohexylmethyl)-5-[5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;ethane?
The InChIKey is BXOYWDLVKKVMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N5.C2H6/c1-13-7-8-16-15(9-13)27-19(20(21,22)23)28(16)18-12-25-17(11-26-18)24-10-14-5-3-2-4-6-14;1-2/h7-9,11-12,14H,2-6,10H2,1H3,(H,24,25);1-2H3.
What are the key properties of N-(cyclohexylmethyl)-5-[5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;ethane?
N-(cyclohexylmethyl)-5-[5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;ethane has a molecular weight of 419.50 g/mol, XLogP of 6.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-5-[5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;ethane is sourced from PubChem (CID 143545679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).