N-[6,7-dichloro-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-6-(3-methoxypropylamino)pyridine-2-carboxamide

C20H17Cl2F3N6O3 — CID 136960926

IUPACN-[6,7-dichloro-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-6-(3-methoxypropylamino)pyridine-2-carboxamide
SMILESCOCCCNc1cccc(C(=O)NC2(C(F)(F)F)C(=O)Nc3nc4cc(Cl)c(Cl)cc4n32)n1
InChIInChI=1S/C20H17Cl2F3N6O3/c1-34-7-3-6-26-15-5-2-4-12(27-15)16(32)30-19(20(23,24)25)17(33)29-18-28-13-8-10(21)11(22)9-14(13)31(18)19/h2,4-5,8-9H,3,6-7H2,1H3,(H,26,27)(H,30,32)(H,28,29,33)
InChIKeyJACZFSKTFLJGPS-UHFFFAOYSA-N
MW517.30 g/mol
LogP3.78
Rot. Bonds7

About N-[6,7-dichloro-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-6-(3-methoxypropylamino)pyridine-2-carboxamide

N-[6,7-dichloro-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-6-(3-methoxypropylamino)pyridine-2-carboxamide (PubChem CID 136960926) has the molecular formula C20H17Cl2F3N6O3 and a molecular weight of 517.30 g/mol. Its IUPAC name is N-[6,7-dichloro-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-6-(3-methoxypropylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6,7-dichloro-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-6-(3-methoxypropylamino)pyridine-2-carboxamide
PubChem CID136960926
Molecular FormulaC20H17Cl2F3N6O3
Molecular Weight517.30 g/mol
Exact Mass516.07
IUPAC NameN-[6,7-dichloro-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-6-(3-methoxypropylamino)pyridine-2-carboxamide
SMILESCOCCCNc1cccc(C(=O)NC2(C(F)(F)F)C(=O)Nc3nc4cc(Cl)c(Cl)cc4n32)n1
InChIInChI=1S/C20H17Cl2F3N6O3/c1-34-7-3-6-26-15-5-2-4-12(27-15)16(32)30-19(20(23,24)25)17(33)29-18-28-13-8-10(21)11(22)9-14(13)31(18)19/h2,4-5,8-9H,3,6-7H2,1H3,(H,26,27)(H,30,32)(H,28,29,33)
InChIKeyJACZFSKTFLJGPS-UHFFFAOYSA-N
XLogP3.78
TPSA110.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.30
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[6,7-dichloro-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-6-(3-methoxypropylamino)pyridine-2-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 N-[6,7-dichloro-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-6-(3-methoxypropylamino)pyridine-2-carboxamide?
The IUPAC name of N-[6,7-dichloro-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-6-(3-methoxypropylamino)pyridine-2-carboxamide (CID 136960926) is N-[6,7-dichloro-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-6-(3-methoxypropylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-[6,7-dichloro-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-6-(3-methoxypropylamino)pyridine-2-carboxamide?
The canonical SMILES for N-[6,7-dichloro-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-6-(3-methoxypropylamino)pyridine-2-carboxamide is COCCCNc1cccc(C(=O)NC2(C(F)(F)F)C(=O)Nc3nc4cc(Cl)c(Cl)cc4n32)n1.
What is the InChIKey of N-[6,7-dichloro-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-6-(3-methoxypropylamino)pyridine-2-carboxamide?
The InChIKey is JACZFSKTFLJGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2F3N6O3/c1-34-7-3-6-26-15-5-2-4-12(27-15)16(32)30-19(20(23,24)25)17(33)29-18-28-13-8-10(21)11(22)9-14(13)31(18)19/h2,4-5,8-9H,3,6-7H2,1H3,(H,26,27)(H,30,32)(H,28,29,33).
What are the key properties of N-[6,7-dichloro-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-6-(3-methoxypropylamino)pyridine-2-carboxamide?
N-[6,7-dichloro-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-6-(3-methoxypropylamino)pyridine-2-carboxamide has a molecular weight of 517.30 g/mol, XLogP of 3.78, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6,7-dichloro-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-6-(3-methoxypropylamino)pyridine-2-carboxamide is sourced from PubChem (CID 136960926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).