2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(3-methylbutyl)-N,N-bis(2,2,2-trifluoroethyl)benzimidazole-5-carboxamide

C26H27F6N3O2 — CID 16720660

IUPAC2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(3-methylbutyl)-N,N-bis(2,2,2-trifluoroethyl)benzimidazole-5-carboxamide
SMILESCC(C)CCn1c(Cc2ccc3c(c2)CCO3)nc2cc(C(=O)N(CC(F)(F)F)CC(F)(F)F)ccc21
InChIInChI=1S/C26H27F6N3O2/c1-16(2)7-9-35-21-5-4-19(24(36)34(14-25(27,28)29)15-26(30,31)32)13-20(21)33-23(35)12-17-3-6-22-18(11-17)8-10-37-22/h3-6,11,13,16H,7-10,12,14-15H2,1-2H3
InChIKeyVLSSAAFTMUVNDI-UHFFFAOYSA-N
MW527.51 g/mol
LogP6.17
Rot. Bonds8

About 2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(3-methylbutyl)-N,N-bis(2,2,2-trifluoroethyl)benzimidazole-5-carboxamide

2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(3-methylbutyl)-N,N-bis(2,2,2-trifluoroethyl)benzimidazole-5-carboxamide (PubChem CID 16720660) has the molecular formula C26H27F6N3O2 and a molecular weight of 527.51 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(3-methylbutyl)-N,N-bis(2,2,2-trifluoroethyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(3-methylbutyl)-N,N-bis(2,2,2-trifluoroethyl)benzimidazole-5-carboxamide
PubChem CID16720660
Molecular FormulaC26H27F6N3O2
Molecular Weight527.51 g/mol
Exact Mass527.20
IUPAC Name2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(3-methylbutyl)-N,N-bis(2,2,2-trifluoroethyl)benzimidazole-5-carboxamide
SMILESCC(C)CCn1c(Cc2ccc3c(c2)CCO3)nc2cc(C(=O)N(CC(F)(F)F)CC(F)(F)F)ccc21
InChIInChI=1S/C26H27F6N3O2/c1-16(2)7-9-35-21-5-4-19(24(36)34(14-25(27,28)29)15-26(30,31)32)13-20(21)33-23(35)12-17-3-6-22-18(11-17)8-10-37-22/h3-6,11,13,16H,7-10,12,14-15H2,1-2H3
InChIKeyVLSSAAFTMUVNDI-UHFFFAOYSA-N
XLogP6.17
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.51
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(3-methylbutyl)-N,N-bis(2,2,2-trifluoroethyl)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 2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(3-methylbutyl)-N,N-bis(2,2,2-trifluoroethyl)benzimidazole-5-carboxamide?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(3-methylbutyl)-N,N-bis(2,2,2-trifluoroethyl)benzimidazole-5-carboxamide (CID 16720660) is 2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(3-methylbutyl)-N,N-bis(2,2,2-trifluoroethyl)benzimidazole-5-carboxamide.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(3-methylbutyl)-N,N-bis(2,2,2-trifluoroethyl)benzimidazole-5-carboxamide?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(3-methylbutyl)-N,N-bis(2,2,2-trifluoroethyl)benzimidazole-5-carboxamide is CC(C)CCn1c(Cc2ccc3c(c2)CCO3)nc2cc(C(=O)N(CC(F)(F)F)CC(F)(F)F)ccc21.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(3-methylbutyl)-N,N-bis(2,2,2-trifluoroethyl)benzimidazole-5-carboxamide?
The InChIKey is VLSSAAFTMUVNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F6N3O2/c1-16(2)7-9-35-21-5-4-19(24(36)34(14-25(27,28)29)15-26(30,31)32)13-20(21)33-23(35)12-17-3-6-22-18(11-17)8-10-37-22/h3-6,11,13,16H,7-10,12,14-15H2,1-2H3.
What are the key properties of 2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(3-methylbutyl)-N,N-bis(2,2,2-trifluoroethyl)benzimidazole-5-carboxamide?
2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(3-methylbutyl)-N,N-bis(2,2,2-trifluoroethyl)benzimidazole-5-carboxamide has a molecular weight of 527.51 g/mol, XLogP of 6.17, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(3-methylbutyl)-N,N-bis(2,2,2-trifluoroethyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 16720660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).