5-methyl-N-[(R)-phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]pyrazine-2-carboxamide

C21H16F3N5O — CID 25388479

About 5-methyl-N-[(R)-phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]pyrazine-2-carboxamide

5-methyl-N-[(R)-phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]pyrazine-2-carboxamide (PubChem CID 25388479) has the molecular formula C21H16F3N5O and a molecular weight of 411.39 g/mol. Its IUPAC name is 5-methyl-N-[(R)-phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 5-methyl-N-[(R)-phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]pyrazine-2-carboxamide
• PubChem CID: 25388479
• Molecular Formula: C21H16F3N5O
• Molecular Weight: 411.39 g/mol
• Exact Mass: 411.13
• IUPAC Name: 5-methyl-N-[(R)-phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]pyrazine-2-carboxamide
• SMILES: Cc1cnc(C(=O)N[C@H](c2ccccc2)c2ccc3nc(C(F)(F)F)[nH]c3c2)cn1
• InChI: InChI=1S/C21H16F3N5O/c1-12-10-26-17(11-25-12)19(30)29-18(13-5-3-2-4-6-13)14-7-8-15-16(9-14)28-20(27-15)21(22,23)24/h2-11,18H,1H3,(H,27,28)(H,29,30)/t18-/m1/s1
• InChIKey: ZOQHYKLDFHGPRR-GOSISDBHSA-N
• XLogP: 4.20
• TPSA: 83.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.39
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(R)-phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]pyrazine-2-carboxamide?

The IUPAC name of 5-methyl-N-[(R)-phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]pyrazine-2-carboxamide (CID 25388479) is 5-methyl-N-[(R)-phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]pyrazine-2-carboxamide.

What is the SMILES notation for 5-methyl-N-[(R)-phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]pyrazine-2-carboxamide?

The canonical SMILES for 5-methyl-N-[(R)-phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]pyrazine-2-carboxamide is Cc1cnc(C(=O)N[C@H](c2ccccc2)c2ccc3nc(C(F)(F)F)[nH]c3c2)cn1.

What is the InChIKey of 5-methyl-N-[(R)-phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]pyrazine-2-carboxamide?

The InChIKey is ZOQHYKLDFHGPRR-GOSISDBHSA-N. The full InChI is InChI=1S/C21H16F3N5O/c1-12-10-26-17(11-25-12)19(30)29-18(13-5-3-2-4-6-13)14-7-8-15-16(9-14)28-20(27-15)21(22,23)24/h2-11,18H,1H3,(H,27,28)(H,29,30)/t18-/m1/s1.

What are the key properties of 5-methyl-N-[(R)-phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]pyrazine-2-carboxamide?

5-methyl-N-[(R)-phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]pyrazine-2-carboxamide has a molecular weight of 411.39 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-N-[(R)-phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 25388479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).