5-N-(1H-benzimidazol-2-yl)-4-N-[2-(trifluoromethyl)phenyl]-1H-imidazole-4,5-dicarboxamide

C19H13F3N6O2 — CID 24984741

IUPAC5-N-(1H-benzimidazol-2-yl)-4-N-[2-(trifluoromethyl)phenyl]-1H-imidazole-4,5-dicarboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)c1nc[nH]c1C(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C19H13F3N6O2/c20-19(21,22)10-5-1-2-6-11(10)25-16(29)14-15(24-9-23-14)17(30)28-18-26-12-7-3-4-8-13(12)27-18/h1-9H,(H,23,24)(H,25,29)(H2,26,27,28,30)
InChIKeyUTPUEGHVUKRTRB-UHFFFAOYSA-N
MW414.35 g/mol
LogP3.81
Rot. Bonds4

About 5-N-(1H-benzimidazol-2-yl)-4-N-[2-(trifluoromethyl)phenyl]-1H-imidazole-4,5-dicarboxamide

5-N-(1H-benzimidazol-2-yl)-4-N-[2-(trifluoromethyl)phenyl]-1H-imidazole-4,5-dicarboxamide (PubChem CID 24984741) has the molecular formula C19H13F3N6O2 and a molecular weight of 414.35 g/mol. Its IUPAC name is 5-N-(1H-benzimidazol-2-yl)-4-N-[2-(trifluoromethyl)phenyl]-1H-imidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(1H-benzimidazol-2-yl)-4-N-[2-(trifluoromethyl)phenyl]-1H-imidazole-4,5-dicarboxamide
PubChem CID24984741
Molecular FormulaC19H13F3N6O2
Molecular Weight414.35 g/mol
Exact Mass414.11
IUPAC Name5-N-(1H-benzimidazol-2-yl)-4-N-[2-(trifluoromethyl)phenyl]-1H-imidazole-4,5-dicarboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)c1nc[nH]c1C(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C19H13F3N6O2/c20-19(21,22)10-5-1-2-6-11(10)25-16(29)14-15(24-9-23-14)17(30)28-18-26-12-7-3-4-8-13(12)27-18/h1-9H,(H,23,24)(H,25,29)(H2,26,27,28,30)
InChIKeyUTPUEGHVUKRTRB-UHFFFAOYSA-N
XLogP3.81
TPSA115.56 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.35
LogP ≤ 53.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-(1H-benzimidazol-2-yl)-4-N-(2-methylsulfonylphenyl)-1H-imidazole-4,5-dicarboxamide
CID 24985602
2-[2-[[5-(1H-benzimidazol-2-ylcarbamoyl)-1H-imidazole-4-carbonyl]amino]phenyl]ethylcarbamic acid
CID 68600786
5-N-(1H-benzimidazol-2-yl)-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1H-imidazole-4,5-dicarboxamide
CID 24984746
4-[3-[4-[[5-(1H-benzimidazol-2-ylcarbamoyl)-1H-imidazole-4-carbonyl]amino]-3-(trifluoromethyl)phenoxy]propyl]piperazine-1-carboxylic acid
CID 66623561
5-N-(1H-benzimidazol-2-yl)-4-N-(4-methoxyphenyl)-1H-imidazole-4,5-dicarboxamide
CID 24984917
5-N-(1H-benzimidazol-2-yl)-4-N-(3-propan-2-ylphenyl)-1H-imidazole-4,5-dicarboxamide
CID 24985261
5-N-(1H-benzimidazol-2-yl)-4-N-(2-methyl-6-propan-2-ylphenyl)-1H-imidazole-4,5-dicarboxamide
CID 24984418
5-N-(1H-benzimidazol-2-yl)-4-N-(4-piperidin-1-yloxyphenyl)-1H-imidazole-4,5-dicarboxamide
CID 91532883
4-N-(1H-benzimidazol-2-yl)-5-N-[(3-methoxyphenyl)methyl]-1H-imidazole-4,5-dicarboxamide
CID 24985262
4-[2-(1H-benzimidazol-2-yl)acetyl]-N-(2-chlorophenyl)-1H-imidazole-5-carboxamide
CID 59349397
5-N-(6-bromo-1H-benzimidazol-2-yl)-4-N-(5-bromo-2-methylphenyl)-1H-imidazole-4,5-dicarboxamide
CID 59349460
tert-butyl 4-[4-[[5-(1H-benzimidazol-2-ylcarbamoyl)-1H-imidazole-4-carbonyl]amino]-3-chlorophenoxy]piperidine-1-carboxylate
CID 59349487

Frequently Asked Questions

What is the IUPAC name of 5-N-(1H-benzimidazol-2-yl)-4-N-[2-(trifluoromethyl)phenyl]-1H-imidazole-4,5-dicarboxamide?
The IUPAC name of 5-N-(1H-benzimidazol-2-yl)-4-N-[2-(trifluoromethyl)phenyl]-1H-imidazole-4,5-dicarboxamide (CID 24984741) is 5-N-(1H-benzimidazol-2-yl)-4-N-[2-(trifluoromethyl)phenyl]-1H-imidazole-4,5-dicarboxamide.
What is the SMILES notation for 5-N-(1H-benzimidazol-2-yl)-4-N-[2-(trifluoromethyl)phenyl]-1H-imidazole-4,5-dicarboxamide?
The canonical SMILES for 5-N-(1H-benzimidazol-2-yl)-4-N-[2-(trifluoromethyl)phenyl]-1H-imidazole-4,5-dicarboxamide is O=C(Nc1ccccc1C(F)(F)F)c1nc[nH]c1C(=O)Nc1nc2ccccc2[nH]1.
What is the InChIKey of 5-N-(1H-benzimidazol-2-yl)-4-N-[2-(trifluoromethyl)phenyl]-1H-imidazole-4,5-dicarboxamide?
The InChIKey is UTPUEGHVUKRTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N6O2/c20-19(21,22)10-5-1-2-6-11(10)25-16(29)14-15(24-9-23-14)17(30)28-18-26-12-7-3-4-8-13(12)27-18/h1-9H,(H,23,24)(H,25,29)(H2,26,27,28,30).
What are the key properties of 5-N-(1H-benzimidazol-2-yl)-4-N-[2-(trifluoromethyl)phenyl]-1H-imidazole-4,5-dicarboxamide?
5-N-(1H-benzimidazol-2-yl)-4-N-[2-(trifluoromethyl)phenyl]-1H-imidazole-4,5-dicarboxamide has a molecular weight of 414.35 g/mol, XLogP of 3.81, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(1H-benzimidazol-2-yl)-4-N-[2-(trifluoromethyl)phenyl]-1H-imidazole-4,5-dicarboxamide is sourced from PubChem (CID 24984741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).