1-methyl-N-(2-pyrrolidin-1-ylethyl)-2-[[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]amino]benzimidazole-5-carboxamide

C23H23F3N6O2 — CID 155083670

IUPAC1-methyl-N-(2-pyrrolidin-1-ylethyl)-2-[[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]amino]benzimidazole-5-carboxamide
SMILESCn1c(Nc2nc3ccc(C(F)(F)F)cc3o2)nc2cc(C(=O)NCCN3CCCC3)ccc21
InChIInChI=1S/C23H23F3N6O2/c1-31-18-7-4-14(20(33)27-8-11-32-9-2-3-10-32)12-17(18)28-21(31)30-22-29-16-6-5-15(23(24,25)26)13-19(16)34-22/h4-7,12-13H,2-3,8-11H2,1H3,(H,27,33)(H,28,29,30)
InChIKeyQUJOGSUTJUNWEH-UHFFFAOYSA-N
MW472.47 g/mol
LogP4.30
Rot. Bonds6

About 1-methyl-N-(2-pyrrolidin-1-ylethyl)-2-[[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]amino]benzimidazole-5-carboxamide

1-methyl-N-(2-pyrrolidin-1-ylethyl)-2-[[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]amino]benzimidazole-5-carboxamide (PubChem CID 155083670) has the molecular formula C23H23F3N6O2 and a molecular weight of 472.47 g/mol. Its IUPAC name is 1-methyl-N-(2-pyrrolidin-1-ylethyl)-2-[[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]amino]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(2-pyrrolidin-1-ylethyl)-2-[[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]amino]benzimidazole-5-carboxamide
PubChem CID155083670
Molecular FormulaC23H23F3N6O2
Molecular Weight472.47 g/mol
Exact Mass472.18
IUPAC Name1-methyl-N-(2-pyrrolidin-1-ylethyl)-2-[[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]amino]benzimidazole-5-carboxamide
SMILESCn1c(Nc2nc3ccc(C(F)(F)F)cc3o2)nc2cc(C(=O)NCCN3CCCC3)ccc21
InChIInChI=1S/C23H23F3N6O2/c1-31-18-7-4-14(20(33)27-8-11-32-9-2-3-10-32)12-17(18)28-21(31)30-22-29-16-6-5-15(23(24,25)26)13-19(16)34-22/h4-7,12-13H,2-3,8-11H2,1H3,(H,27,33)(H,28,29,30)
InChIKeyQUJOGSUTJUNWEH-UHFFFAOYSA-N
XLogP4.30
TPSA88.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.47
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-methyl-N-(2-pyrrolidin-1-ylethyl)-2-[[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]amino]benzimidazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-pyrrolidin-1-ylethyl)-2-[[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]amino]benzimidazole-5-carboxamide?
The IUPAC name of 1-methyl-N-(2-pyrrolidin-1-ylethyl)-2-[[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]amino]benzimidazole-5-carboxamide (CID 155083670) is 1-methyl-N-(2-pyrrolidin-1-ylethyl)-2-[[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]amino]benzimidazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-(2-pyrrolidin-1-ylethyl)-2-[[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]amino]benzimidazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-(2-pyrrolidin-1-ylethyl)-2-[[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]amino]benzimidazole-5-carboxamide is Cn1c(Nc2nc3ccc(C(F)(F)F)cc3o2)nc2cc(C(=O)NCCN3CCCC3)ccc21.
What is the InChIKey of 1-methyl-N-(2-pyrrolidin-1-ylethyl)-2-[[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]amino]benzimidazole-5-carboxamide?
The InChIKey is QUJOGSUTJUNWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N6O2/c1-31-18-7-4-14(20(33)27-8-11-32-9-2-3-10-32)12-17(18)28-21(31)30-22-29-16-6-5-15(23(24,25)26)13-19(16)34-22/h4-7,12-13H,2-3,8-11H2,1H3,(H,27,33)(H,28,29,30).
What are the key properties of 1-methyl-N-(2-pyrrolidin-1-ylethyl)-2-[[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]amino]benzimidazole-5-carboxamide?
1-methyl-N-(2-pyrrolidin-1-ylethyl)-2-[[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]amino]benzimidazole-5-carboxamide has a molecular weight of 472.47 g/mol, XLogP of 4.30, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-pyrrolidin-1-ylethyl)-2-[[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]amino]benzimidazole-5-carboxamide is sourced from PubChem (CID 155083670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).