9-[4-[2-oxo-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-3H-benzimidazol-1-yl]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide

C41H32F6N4O3 — CID 10190592

IUPAC9-[4-[2-oxo-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-3H-benzimidazol-1-yl]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide
SMILESO=C(Nc1cccc2c1[nH]c(=O)n2CCCCC1(C(=O)NCC(F)(F)F)c2ccccc2-c2ccccc21)c1ccccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C41H32F6N4O3/c42-40(43,44)24-48-37(53)39(31-14-5-3-11-28(31)29-12-4-6-15-32(29)39)22-7-8-23-51-34-17-9-16-33(35(34)50-38(51)54)49-36(52)30-13-2-1-10-27(30)25-18-20-26(21-19-25)41(45,46)47/h1-6,9-21H,7-8,22-24H2,(H,48,53)(H,49,52)(H,50,54)
InChIKeyLMQKJJKWVVHBHK-UHFFFAOYSA-N
MW742.72 g/mol
LogP9.08
Rot. Bonds10

About 9-[4-[2-oxo-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-3H-benzimidazol-1-yl]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide

9-[4-[2-oxo-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-3H-benzimidazol-1-yl]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide (PubChem CID 10190592) has the molecular formula C41H32F6N4O3 and a molecular weight of 742.72 g/mol. Its IUPAC name is 9-[4-[2-oxo-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-3H-benzimidazol-1-yl]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide.

Molecular Properties

Compound Name9-[4-[2-oxo-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-3H-benzimidazol-1-yl]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide
PubChem CID10190592
Molecular FormulaC41H32F6N4O3
Molecular Weight742.72 g/mol
Exact Mass742.24
IUPAC Name9-[4-[2-oxo-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-3H-benzimidazol-1-yl]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide
SMILESO=C(Nc1cccc2c1[nH]c(=O)n2CCCCC1(C(=O)NCC(F)(F)F)c2ccccc2-c2ccccc21)c1ccccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C41H32F6N4O3/c42-40(43,44)24-48-37(53)39(31-14-5-3-11-28(31)29-12-4-6-15-32(29)39)22-7-8-23-51-34-17-9-16-33(35(34)50-38(51)54)49-36(52)30-13-2-1-10-27(30)25-18-20-26(21-19-25)41(45,46)47/h1-6,9-21H,7-8,22-24H2,(H,48,53)(H,49,52)(H,50,54)
InChIKeyLMQKJJKWVVHBHK-UHFFFAOYSA-N
XLogP9.08
TPSA95.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.72
LogP ≤ 59.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 9-[4-[2-oxo-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-3H-benzimidazol-1-yl]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-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 9-[4-[2-oxo-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-3H-benzimidazol-1-yl]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide?
The IUPAC name of 9-[4-[2-oxo-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-3H-benzimidazol-1-yl]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide (CID 10190592) is 9-[4-[2-oxo-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-3H-benzimidazol-1-yl]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide.
What is the SMILES notation for 9-[4-[2-oxo-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-3H-benzimidazol-1-yl]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide?
The canonical SMILES for 9-[4-[2-oxo-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-3H-benzimidazol-1-yl]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide is O=C(Nc1cccc2c1[nH]c(=O)n2CCCCC1(C(=O)NCC(F)(F)F)c2ccccc2-c2ccccc21)c1ccccc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 9-[4-[2-oxo-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-3H-benzimidazol-1-yl]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide?
The InChIKey is LMQKJJKWVVHBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H32F6N4O3/c42-40(43,44)24-48-37(53)39(31-14-5-3-11-28(31)29-12-4-6-15-32(29)39)22-7-8-23-51-34-17-9-16-33(35(34)50-38(51)54)49-36(52)30-13-2-1-10-27(30)25-18-20-26(21-19-25)41(45,46)47/h1-6,9-21H,7-8,22-24H2,(H,48,53)(H,49,52)(H,50,54).
What are the key properties of 9-[4-[2-oxo-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-3H-benzimidazol-1-yl]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide?
9-[4-[2-oxo-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-3H-benzimidazol-1-yl]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide has a molecular weight of 742.72 g/mol, XLogP of 9.08, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[2-oxo-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-3H-benzimidazol-1-yl]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide is sourced from PubChem (CID 10190592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).