2-(4-sulfamoylanilino)-1-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxamide

C22H18F3N5O3S — CID 25164661

IUPAC2-(4-sulfamoylanilino)-1-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2c(c1)nc(Nc1ccc(S(N)(=O)=O)cc1)n2Cc1ccccc1C(F)(F)F
InChIInChI=1S/C22H18F3N5O3S/c23-22(24,25)17-4-2-1-3-14(17)12-30-19-10-5-13(20(26)31)11-18(19)29-21(30)28-15-6-8-16(9-7-15)34(27,32)33/h1-11H,12H2,(H2,26,31)(H,28,29)(H2,27,32,33)
InChIKeyDVSBIKLKENVWGG-UHFFFAOYSA-N
MW489.48 g/mol
LogP3.59
Rot. Bonds6

About 2-(4-sulfamoylanilino)-1-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxamide

2-(4-sulfamoylanilino)-1-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxamide (PubChem CID 25164661) has the molecular formula C22H18F3N5O3S and a molecular weight of 489.48 g/mol. Its IUPAC name is 2-(4-sulfamoylanilino)-1-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-sulfamoylanilino)-1-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxamide
PubChem CID25164661
Molecular FormulaC22H18F3N5O3S
Molecular Weight489.48 g/mol
Exact Mass489.11
IUPAC Name2-(4-sulfamoylanilino)-1-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2c(c1)nc(Nc1ccc(S(N)(=O)=O)cc1)n2Cc1ccccc1C(F)(F)F
InChIInChI=1S/C22H18F3N5O3S/c23-22(24,25)17-4-2-1-3-14(17)12-30-19-10-5-13(20(26)31)11-18(19)29-21(30)28-15-6-8-16(9-7-15)34(27,32)33/h1-11H,12H2,(H2,26,31)(H,28,29)(H2,27,32,33)
InChIKeyDVSBIKLKENVWGG-UHFFFAOYSA-N
XLogP3.59
TPSA133.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.48
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-sulfamoylanilino)-1-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxamide?
The IUPAC name of 2-(4-sulfamoylanilino)-1-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxamide (CID 25164661) is 2-(4-sulfamoylanilino)-1-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxamide.
What is the SMILES notation for 2-(4-sulfamoylanilino)-1-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxamide?
The canonical SMILES for 2-(4-sulfamoylanilino)-1-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxamide is NC(=O)c1ccc2c(c1)nc(Nc1ccc(S(N)(=O)=O)cc1)n2Cc1ccccc1C(F)(F)F.
What is the InChIKey of 2-(4-sulfamoylanilino)-1-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxamide?
The InChIKey is DVSBIKLKENVWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N5O3S/c23-22(24,25)17-4-2-1-3-14(17)12-30-19-10-5-13(20(26)31)11-18(19)29-21(30)28-15-6-8-16(9-7-15)34(27,32)33/h1-11H,12H2,(H2,26,31)(H,28,29)(H2,27,32,33).
What are the key properties of 2-(4-sulfamoylanilino)-1-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxamide?
2-(4-sulfamoylanilino)-1-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxamide has a molecular weight of 489.48 g/mol, XLogP of 3.59, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-sulfamoylanilino)-1-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxamide is sourced from PubChem (CID 25164661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).