N-[6,7-dichloro-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-3-morpholin-4-ylpropanamide

C17H16Cl2F3N5O3 — CID 136960897

IUPACN-[6,7-dichloro-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-3-morpholin-4-ylpropanamide
SMILESO=C(CCN1CCOCC1)NC1(C(F)(F)F)C(=O)Nc2nc3cc(Cl)c(Cl)cc3n21
InChIInChI=1S/C17H16Cl2F3N5O3/c18-9-7-11-12(8-10(9)19)27-15(23-11)24-14(29)16(27,17(20,21)22)25-13(28)1-2-26-3-5-30-6-4-26/h7-8H,1-6H2,(H,25,28)(H,23,24,29)
InChIKeyLXHNFURLQNOSJN-UHFFFAOYSA-N
MW466.25 g/mol
LogP2.35
Rot. Bonds4

About N-[6,7-dichloro-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-3-morpholin-4-ylpropanamide

N-[6,7-dichloro-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-3-morpholin-4-ylpropanamide (PubChem CID 136960897) has the molecular formula C17H16Cl2F3N5O3 and a molecular weight of 466.25 g/mol. Its IUPAC name is N-[6,7-dichloro-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-3-morpholin-4-ylpropanamide.

Molecular Properties

Compound NameN-[6,7-dichloro-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-3-morpholin-4-ylpropanamide
PubChem CID136960897
Molecular FormulaC17H16Cl2F3N5O3
Molecular Weight466.25 g/mol
Exact Mass465.06
IUPAC NameN-[6,7-dichloro-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-3-morpholin-4-ylpropanamide
SMILESO=C(CCN1CCOCC1)NC1(C(F)(F)F)C(=O)Nc2nc3cc(Cl)c(Cl)cc3n21
InChIInChI=1S/C17H16Cl2F3N5O3/c18-9-7-11-12(8-10(9)19)27-15(23-11)24-14(29)16(27,17(20,21)22)25-13(28)1-2-26-3-5-30-6-4-26/h7-8H,1-6H2,(H,25,28)(H,23,24,29)
InChIKeyLXHNFURLQNOSJN-UHFFFAOYSA-N
XLogP2.35
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.25
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-chloro-4,6-dimethylphenyl)-3-morpholin-4-ylpropanamide
CID 110688490
3-morpholin-4-yl-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]propanamide
CID 112536424
2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)butanamide
CID 83281530
N-(4-amino-2-chlorophenyl)-3-(1,4-oxazepan-4-yl)propanamide
CID 62986506
(2S)-2-[5,6-dichloro-2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)propanamide
CID 98229906
N-(6-chloro-1,3-benzothiazol-2-yl)-3-morpholin-4-ylpropanamide
CID 110688525
3-methyl-N-[1-methyl-2-(2-morpholin-4-ylethyl)benzimidazol-5-yl]butanamide
CID 4900397
N-hydroxy-3-morpholin-4-ylpropanamide
CID 131174118
(3E,5E)-3,5-bis[(3,4-dichlorophenyl)methylidene]-1-(3-morpholin-4-ylpropanoyl)piperidin-4-one
CID 5388811
2-[5-[2,6-dichloro-4-(trifluoromethyl)anilino]-2-fluorophenyl]-N-(2-morpholin-4-ylethyl)acetamide
CID 87262022
N-(2-fluorophenyl)-3-morpholin-4-ylpropanamide
CID 575001
N-[6-(2-methyl-1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]-3-morpholin-4-ylpropanamide
CID 138590073

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]-3-morpholin-4-ylpropanamide?
The IUPAC name of N-[6,7-dichloro-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-3-morpholin-4-ylpropanamide (CID 136960897) is N-[6,7-dichloro-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-3-morpholin-4-ylpropanamide.
What is the SMILES notation for N-[6,7-dichloro-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-3-morpholin-4-ylpropanamide?
The canonical SMILES for N-[6,7-dichloro-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-3-morpholin-4-ylpropanamide is O=C(CCN1CCOCC1)NC1(C(F)(F)F)C(=O)Nc2nc3cc(Cl)c(Cl)cc3n21.
What is the InChIKey of N-[6,7-dichloro-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-3-morpholin-4-ylpropanamide?
The InChIKey is LXHNFURLQNOSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2F3N5O3/c18-9-7-11-12(8-10(9)19)27-15(23-11)24-14(29)16(27,17(20,21)22)25-13(28)1-2-26-3-5-30-6-4-26/h7-8H,1-6H2,(H,25,28)(H,23,24,29).
What are the key properties of N-[6,7-dichloro-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-3-morpholin-4-ylpropanamide?
N-[6,7-dichloro-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-3-morpholin-4-ylpropanamide has a molecular weight of 466.25 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 6 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]-3-morpholin-4-ylpropanamide is sourced from PubChem (CID 136960897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).