N-[(1S)-2-cyclopropyl-1-[1-methyl-5-(trifluoromethoxy)benzimidazol-2-yl]ethyl]-5-methylpyrazine-2-carboxamide

C20H20F3N5O2 — CID 171534700

IUPACN-[(1S)-2-cyclopropyl-1-[1-methyl-5-(trifluoromethoxy)benzimidazol-2-yl]ethyl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N[C@@H](CC2CC2)c2nc3cc(OC(F)(F)F)ccc3n2C)cn1
InChIInChI=1S/C20H20F3N5O2/c1-11-9-25-16(10-24-11)19(29)27-15(7-12-3-4-12)18-26-14-8-13(30-20(21,22)23)5-6-17(14)28(18)2/h5-6,8-10,12,15H,3-4,7H2,1-2H3,(H,27,29)/t15-/m0/s1
InChIKeyLTHCTWNYZRKUNE-HNNXBMFYSA-N
MW419.41 g/mol
LogP3.84
Rot. Bonds6

About N-[(1S)-2-cyclopropyl-1-[1-methyl-5-(trifluoromethoxy)benzimidazol-2-yl]ethyl]-5-methylpyrazine-2-carboxamide

N-[(1S)-2-cyclopropyl-1-[1-methyl-5-(trifluoromethoxy)benzimidazol-2-yl]ethyl]-5-methylpyrazine-2-carboxamide (PubChem CID 171534700) has the molecular formula C20H20F3N5O2 and a molecular weight of 419.41 g/mol. Its IUPAC name is N-[(1S)-2-cyclopropyl-1-[1-methyl-5-(trifluoromethoxy)benzimidazol-2-yl]ethyl]-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2-cyclopropyl-1-[1-methyl-5-(trifluoromethoxy)benzimidazol-2-yl]ethyl]-5-methylpyrazine-2-carboxamide
PubChem CID171534700
Molecular FormulaC20H20F3N5O2
Molecular Weight419.41 g/mol
Exact Mass419.16
IUPAC NameN-[(1S)-2-cyclopropyl-1-[1-methyl-5-(trifluoromethoxy)benzimidazol-2-yl]ethyl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N[C@@H](CC2CC2)c2nc3cc(OC(F)(F)F)ccc3n2C)cn1
InChIInChI=1S/C20H20F3N5O2/c1-11-9-25-16(10-24-11)19(29)27-15(7-12-3-4-12)18-26-14-8-13(30-20(21,22)23)5-6-17(14)28(18)2/h5-6,8-10,12,15H,3-4,7H2,1-2H3,(H,27,29)/t15-/m0/s1
InChIKeyLTHCTWNYZRKUNE-HNNXBMFYSA-N
XLogP3.84
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.41
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-cyclopropyl-1-[1-methyl-5-(trifluoromethoxy)benzimidazol-2-yl]ethyl]-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-[(1S)-2-cyclopropyl-1-[1-methyl-5-(trifluoromethoxy)benzimidazol-2-yl]ethyl]-5-methylpyrazine-2-carboxamide (CID 171534700) is N-[(1S)-2-cyclopropyl-1-[1-methyl-5-(trifluoromethoxy)benzimidazol-2-yl]ethyl]-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[(1S)-2-cyclopropyl-1-[1-methyl-5-(trifluoromethoxy)benzimidazol-2-yl]ethyl]-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[(1S)-2-cyclopropyl-1-[1-methyl-5-(trifluoromethoxy)benzimidazol-2-yl]ethyl]-5-methylpyrazine-2-carboxamide is Cc1cnc(C(=O)N[C@@H](CC2CC2)c2nc3cc(OC(F)(F)F)ccc3n2C)cn1.
What is the InChIKey of N-[(1S)-2-cyclopropyl-1-[1-methyl-5-(trifluoromethoxy)benzimidazol-2-yl]ethyl]-5-methylpyrazine-2-carboxamide?
The InChIKey is LTHCTWNYZRKUNE-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H20F3N5O2/c1-11-9-25-16(10-24-11)19(29)27-15(7-12-3-4-12)18-26-14-8-13(30-20(21,22)23)5-6-17(14)28(18)2/h5-6,8-10,12,15H,3-4,7H2,1-2H3,(H,27,29)/t15-/m0/s1.
What are the key properties of N-[(1S)-2-cyclopropyl-1-[1-methyl-5-(trifluoromethoxy)benzimidazol-2-yl]ethyl]-5-methylpyrazine-2-carboxamide?
N-[(1S)-2-cyclopropyl-1-[1-methyl-5-(trifluoromethoxy)benzimidazol-2-yl]ethyl]-5-methylpyrazine-2-carboxamide has a molecular weight of 419.41 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-cyclopropyl-1-[1-methyl-5-(trifluoromethoxy)benzimidazol-2-yl]ethyl]-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 171534700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).