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

C14H10Cl2F3N5O2 — CID 137157171

IUPACN-[6,7-dichloro-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]azetidine-3-carboxamide
SMILESO=C(NC1(C(F)(F)F)C(=O)Nc2nc3cc(Cl)c(Cl)cc3n21)C1CNC1
InChIInChI=1S/C14H10Cl2F3N5O2/c15-6-1-8-9(2-7(6)16)24-12(21-8)22-11(26)13(24,14(17,18)19)23-10(25)5-3-20-4-5/h1-2,5,20H,3-4H2,(H,23,25)(H,21,22,26)
InChIKeyQERHUTQINQFVLM-UHFFFAOYSA-N
MW408.17 g/mol
LogP1.85
Rot. Bonds2

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

N-[6,7-dichloro-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]azetidine-3-carboxamide (PubChem CID 137157171) has the molecular formula C14H10Cl2F3N5O2 and a molecular weight of 408.17 g/mol. Its IUPAC name is N-[6,7-dichloro-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]azetidine-3-carboxamide.

Molecular Properties

Compound NameN-[6,7-dichloro-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]azetidine-3-carboxamide
PubChem CID137157171
Molecular FormulaC14H10Cl2F3N5O2
Molecular Weight408.17 g/mol
Exact Mass407.02
IUPAC NameN-[6,7-dichloro-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]azetidine-3-carboxamide
SMILESO=C(NC1(C(F)(F)F)C(=O)Nc2nc3cc(Cl)c(Cl)cc3n21)C1CNC1
InChIInChI=1S/C14H10Cl2F3N5O2/c15-6-1-8-9(2-7(6)16)24-12(21-8)22-11(26)13(24,14(17,18)19)23-10(25)5-3-20-4-5/h1-2,5,20H,3-4H2,(H,23,25)(H,21,22,26)
InChIKeyQERHUTQINQFVLM-UHFFFAOYSA-N
XLogP1.85
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.17
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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]azetidine-3-carboxamide?
The IUPAC name of N-[6,7-dichloro-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]azetidine-3-carboxamide (CID 137157171) is N-[6,7-dichloro-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]azetidine-3-carboxamide.
What is the SMILES notation for N-[6,7-dichloro-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]azetidine-3-carboxamide?
The canonical SMILES for N-[6,7-dichloro-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]azetidine-3-carboxamide is O=C(NC1(C(F)(F)F)C(=O)Nc2nc3cc(Cl)c(Cl)cc3n21)C1CNC1.
What is the InChIKey of N-[6,7-dichloro-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]azetidine-3-carboxamide?
The InChIKey is QERHUTQINQFVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2F3N5O2/c15-6-1-8-9(2-7(6)16)24-12(21-8)22-11(26)13(24,14(17,18)19)23-10(25)5-3-20-4-5/h1-2,5,20H,3-4H2,(H,23,25)(H,21,22,26).
What are the key properties of N-[6,7-dichloro-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]azetidine-3-carboxamide?
N-[6,7-dichloro-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]azetidine-3-carboxamide has a molecular weight of 408.17 g/mol, XLogP of 1.85, 2 rotatable bonds, 3 hydrogen bond donors, and 5 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]azetidine-3-carboxamide is sourced from PubChem (CID 137157171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).