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

C19H18F3N5O2 — CID 171607999

IUPACN-[(S)-cyclopropyl-[1-methyl-5-(trifluoromethoxy)benzimidazol-2-yl]methyl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N[C@H](c2nc3cc(OC(F)(F)F)ccc3n2C)C2CC2)cn1
InChIInChI=1S/C19H18F3N5O2/c1-10-8-24-14(9-23-10)18(28)26-16(11-3-4-11)17-25-13-7-12(29-19(20,21)22)5-6-15(13)27(17)2/h5-9,11,16H,3-4H2,1-2H3,(H,26,28)/t16-/m0/s1
InChIKeyIHJAXHGGMDZHQO-INIZCTEOSA-N
MW405.38 g/mol
LogP3.45
Rot. Bonds5

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

N-[(S)-cyclopropyl-[1-methyl-5-(trifluoromethoxy)benzimidazol-2-yl]methyl]-5-methylpyrazine-2-carboxamide (PubChem CID 171607999) has the molecular formula C19H18F3N5O2 and a molecular weight of 405.38 g/mol. Its IUPAC name is N-[(S)-cyclopropyl-[1-methyl-5-(trifluoromethoxy)benzimidazol-2-yl]methyl]-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(S)-cyclopropyl-[1-methyl-5-(trifluoromethoxy)benzimidazol-2-yl]methyl]-5-methylpyrazine-2-carboxamide
PubChem CID171607999
Molecular FormulaC19H18F3N5O2
Molecular Weight405.38 g/mol
Exact Mass405.14
IUPAC NameN-[(S)-cyclopropyl-[1-methyl-5-(trifluoromethoxy)benzimidazol-2-yl]methyl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N[C@H](c2nc3cc(OC(F)(F)F)ccc3n2C)C2CC2)cn1
InChIInChI=1S/C19H18F3N5O2/c1-10-8-24-14(9-23-10)18(28)26-16(11-3-4-11)17-25-13-7-12(29-19(20,21)22)5-6-15(13)27(17)2/h5-9,11,16H,3-4H2,1-2H3,(H,26,28)/t16-/m0/s1
InChIKeyIHJAXHGGMDZHQO-INIZCTEOSA-N
XLogP3.45
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.38
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(S)-cyclopropyl-[1-methyl-5-(trifluoromethoxy)benzimidazol-2-yl]methyl]-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-[(S)-cyclopropyl-[1-methyl-5-(trifluoromethoxy)benzimidazol-2-yl]methyl]-5-methylpyrazine-2-carboxamide (CID 171607999) is N-[(S)-cyclopropyl-[1-methyl-5-(trifluoromethoxy)benzimidazol-2-yl]methyl]-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[(S)-cyclopropyl-[1-methyl-5-(trifluoromethoxy)benzimidazol-2-yl]methyl]-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[(S)-cyclopropyl-[1-methyl-5-(trifluoromethoxy)benzimidazol-2-yl]methyl]-5-methylpyrazine-2-carboxamide is Cc1cnc(C(=O)N[C@H](c2nc3cc(OC(F)(F)F)ccc3n2C)C2CC2)cn1.
What is the InChIKey of N-[(S)-cyclopropyl-[1-methyl-5-(trifluoromethoxy)benzimidazol-2-yl]methyl]-5-methylpyrazine-2-carboxamide?
The InChIKey is IHJAXHGGMDZHQO-INIZCTEOSA-N. The full InChI is InChI=1S/C19H18F3N5O2/c1-10-8-24-14(9-23-10)18(28)26-16(11-3-4-11)17-25-13-7-12(29-19(20,21)22)5-6-15(13)27(17)2/h5-9,11,16H,3-4H2,1-2H3,(H,26,28)/t16-/m0/s1.
What are the key properties of N-[(S)-cyclopropyl-[1-methyl-5-(trifluoromethoxy)benzimidazol-2-yl]methyl]-5-methylpyrazine-2-carboxamide?
N-[(S)-cyclopropyl-[1-methyl-5-(trifluoromethoxy)benzimidazol-2-yl]methyl]-5-methylpyrazine-2-carboxamide has a molecular weight of 405.38 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-cyclopropyl-[1-methyl-5-(trifluoromethoxy)benzimidazol-2-yl]methyl]-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 171607999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).