2-(5-benzamidobenzimidazol-1-yl)-1-butyl-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide

C34H29F3N4O2 — CID 67630112

IUPAC2-(5-benzamidobenzimidazol-1-yl)-1-butyl-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide
SMILESCCCCc1c(-n2cnc3cc(NC(=O)c4ccccc4)ccc32)ccc2c1C(C(=O)NCC(F)(F)F)c1ccccc1-2
InChIInChI=1S/C34H29F3N4O2/c1-2-3-11-26-28(41-20-39-27-18-22(14-16-29(27)41)40-32(42)21-9-5-4-6-10-21)17-15-25-23-12-7-8-13-24(23)31(30(25)26)33(43)38-19-34(35,36)37/h4-10,12-18,20,31H,2-3,11,19H2,1H3,(H,38,43)(H,40,42)
InChIKeyOGIDWLDUBZPOTK-UHFFFAOYSA-N
MW582.63 g/mol
LogP7.41
Rot. Bonds8

About 2-(5-benzamidobenzimidazol-1-yl)-1-butyl-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide

2-(5-benzamidobenzimidazol-1-yl)-1-butyl-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide (PubChem CID 67630112) has the molecular formula C34H29F3N4O2 and a molecular weight of 582.63 g/mol. Its IUPAC name is 2-(5-benzamidobenzimidazol-1-yl)-1-butyl-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide.

Molecular Properties

Compound Name2-(5-benzamidobenzimidazol-1-yl)-1-butyl-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide
PubChem CID67630112
Molecular FormulaC34H29F3N4O2
Molecular Weight582.63 g/mol
Exact Mass582.22
IUPAC Name2-(5-benzamidobenzimidazol-1-yl)-1-butyl-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide
SMILESCCCCc1c(-n2cnc3cc(NC(=O)c4ccccc4)ccc32)ccc2c1C(C(=O)NCC(F)(F)F)c1ccccc1-2
InChIInChI=1S/C34H29F3N4O2/c1-2-3-11-26-28(41-20-39-27-18-22(14-16-29(27)41)40-32(42)21-9-5-4-6-10-21)17-15-25-23-12-7-8-13-24(23)31(30(25)26)33(43)38-19-34(35,36)37/h4-10,12-18,20,31H,2-3,11,19H2,1H3,(H,38,43)(H,40,42)
InChIKeyOGIDWLDUBZPOTK-UHFFFAOYSA-N
XLogP7.41
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.63
LogP ≤ 57.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(5-benzamidobenzimidazol-1-yl)-1-butyl-N-(2,2,2-trifluoroethyl)-9H-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

Related Compounds

1-butyl-2-[5-[(2-phenoxybenzoyl)amino]-2-pyridinyl]-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide
CID 67628269
2-amino-3-(6-benzamido-3-pyridinyl)-1-propyl-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide
CID 67628180
1-butyl-2-[4-[(2,5-difluorobenzoyl)amino]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide
CID 67651104
9-[4-(5-benzamidobenzimidazol-1-yl)butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide
CID 18409344
N-(4-benzamidoimidazol-1-yl)-1-butyl-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide
CID 67630052
N-(4-benzamidoindol-1-yl)-1-butyl-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide
CID 67629425
[1-(4-butoxybutyl)-9-(2,2,2-trifluoroethylcarbamoyl)-9H-fluoren-2-yl]-oxo-(oxolan-2-ylmethoxy)phosphanium
CID 67628982
3-benzamido-1-(1-pyrrolidin-1-ylbutyl)-N-(2,2,2-trifluoroethyl)-9H-thioxanthene-9-carboxamide
CID 67655204
N-(1-methylbenzimidazol-5-yl)-4-(trifluoromethyl)benzamide
CID 110728545
N-(4-butylphenyl)-1-methylbenzimidazole-5-carboxamide
CID 100775922
N-[1-(2-methoxyphenyl)benzimidazol-5-yl]butanamide
CID 2974525
N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]benzamide
CID 46328940

Frequently Asked Questions

What is the IUPAC name of 2-(5-benzamidobenzimidazol-1-yl)-1-butyl-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide?
The IUPAC name of 2-(5-benzamidobenzimidazol-1-yl)-1-butyl-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide (CID 67630112) is 2-(5-benzamidobenzimidazol-1-yl)-1-butyl-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide.
What is the SMILES notation for 2-(5-benzamidobenzimidazol-1-yl)-1-butyl-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide?
The canonical SMILES for 2-(5-benzamidobenzimidazol-1-yl)-1-butyl-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide is CCCCc1c(-n2cnc3cc(NC(=O)c4ccccc4)ccc32)ccc2c1C(C(=O)NCC(F)(F)F)c1ccccc1-2.
What is the InChIKey of 2-(5-benzamidobenzimidazol-1-yl)-1-butyl-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide?
The InChIKey is OGIDWLDUBZPOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H29F3N4O2/c1-2-3-11-26-28(41-20-39-27-18-22(14-16-29(27)41)40-32(42)21-9-5-4-6-10-21)17-15-25-23-12-7-8-13-24(23)31(30(25)26)33(43)38-19-34(35,36)37/h4-10,12-18,20,31H,2-3,11,19H2,1H3,(H,38,43)(H,40,42).
What are the key properties of 2-(5-benzamidobenzimidazol-1-yl)-1-butyl-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide?
2-(5-benzamidobenzimidazol-1-yl)-1-butyl-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide has a molecular weight of 582.63 g/mol, XLogP of 7.41, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-benzamidobenzimidazol-1-yl)-1-butyl-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide is sourced from PubChem (CID 67630112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).