N-(cyclohexylmethyl)-5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine

C33H32F6N10O2 — CID 171929748

IUPACN-(cyclohexylmethyl)-5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine
SMILESCOc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NCC2CCCCC2)cn1.COc1ccc2nc(C(F)(F)F)n(-c3cnc(N)cn3)c2c1
InChIInChI=1S/C20H22F3N5O.C13H10F3N5O/c1-29-14-7-8-16-15(9-14)27-19(20(21,22)23)28(16)18-12-25-17(11-26-18)24-10-13-5-3-2-4-6-13;1-22-7-2-3-8-9(4-7)21(12(20-8)13(14,15)16)11-6-18-10(17)5-19-11/h7-9,11-13H,2-6,10H2,1H3,(H,24,25);2-6H,1H3,(H2,17,18)
InChIKeySKWRTVWTVSCBBR-UHFFFAOYSA-N
MW714.68 g/mol
LogP7.26
Rot. Bonds7

About N-(cyclohexylmethyl)-5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine

N-(cyclohexylmethyl)-5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine (PubChem CID 171929748) has the molecular formula C33H32F6N10O2 and a molecular weight of 714.68 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine
PubChem CID171929748
Molecular FormulaC33H32F6N10O2
Molecular Weight714.68 g/mol
Exact Mass714.26
IUPAC NameN-(cyclohexylmethyl)-5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine
SMILESCOc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NCC2CCCCC2)cn1.COc1ccc2nc(C(F)(F)F)n(-c3cnc(N)cn3)c2c1
InChIInChI=1S/C20H22F3N5O.C13H10F3N5O/c1-29-14-7-8-16-15(9-14)27-19(20(21,22)23)28(16)18-12-25-17(11-26-18)24-10-13-5-3-2-4-6-13;1-22-7-2-3-8-9(4-7)21(12(20-8)13(14,15)16)11-6-18-10(17)5-19-11/h7-9,11-13H,2-6,10H2,1H3,(H,24,25);2-6H,1H3,(H2,17,18)
InChIKeySKWRTVWTVSCBBR-UHFFFAOYSA-N
XLogP7.26
TPSA143.71 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500714.68
LogP ≤ 57.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze N-(cyclohexylmethyl)-5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine?
The IUPAC name of N-(cyclohexylmethyl)-5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine (CID 171929748) is N-(cyclohexylmethyl)-5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine?
The canonical SMILES for N-(cyclohexylmethyl)-5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine is COc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NCC2CCCCC2)cn1.COc1ccc2nc(C(F)(F)F)n(-c3cnc(N)cn3)c2c1.
What is the InChIKey of N-(cyclohexylmethyl)-5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine?
The InChIKey is SKWRTVWTVSCBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N5O.C13H10F3N5O/c1-29-14-7-8-16-15(9-14)27-19(20(21,22)23)28(16)18-12-25-17(11-26-18)24-10-13-5-3-2-4-6-13;1-22-7-2-3-8-9(4-7)21(12(20-8)13(14,15)16)11-6-18-10(17)5-19-11/h7-9,11-13H,2-6,10H2,1H3,(H,24,25);2-6H,1H3,(H2,17,18).
What are the key properties of N-(cyclohexylmethyl)-5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine?
N-(cyclohexylmethyl)-5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine has a molecular weight of 714.68 g/mol, XLogP of 7.26, 7 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine is sourced from PubChem (CID 171929748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).