4-amino-1-cyclopropyl-3-[1-[1,6-dimethyl-2-(trifluoromethyl)benzimidazol-5-yl]ethenyl-methylamino]-6-(trifluoromethyl)pyridin-2-one

C22H21F6N5O — CID 130330967

IUPAC4-amino-1-cyclopropyl-3-[1-[1,6-dimethyl-2-(trifluoromethyl)benzimidazol-5-yl]ethenyl-methylamino]-6-(trifluoromethyl)pyridin-2-one
SMILESC=C(c1cc2nc(C(F)(F)F)n(C)c2cc1C)N(C)c1c(N)cc(C(F)(F)F)n(C2CC2)c1=O
InChIInChI=1S/C22H21F6N5O/c1-10-7-16-15(30-20(32(16)4)22(26,27)28)8-13(10)11(2)31(3)18-14(29)9-17(21(23,24)25)33(19(18)34)12-5-6-12/h7-9,12H,2,5-6,29H2,1,3-4H3
InChIKeyTWCKFFMYLMDUCY-UHFFFAOYSA-N
MW485.43 g/mol
LogP5.11
Rot. Bonds4

About 4-amino-1-cyclopropyl-3-[1-[1,6-dimethyl-2-(trifluoromethyl)benzimidazol-5-yl]ethenyl-methylamino]-6-(trifluoromethyl)pyridin-2-one

4-amino-1-cyclopropyl-3-[1-[1,6-dimethyl-2-(trifluoromethyl)benzimidazol-5-yl]ethenyl-methylamino]-6-(trifluoromethyl)pyridin-2-one (PubChem CID 130330967) has the molecular formula C22H21F6N5O and a molecular weight of 485.43 g/mol. Its IUPAC name is 4-amino-1-cyclopropyl-3-[1-[1,6-dimethyl-2-(trifluoromethyl)benzimidazol-5-yl]ethenyl-methylamino]-6-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name4-amino-1-cyclopropyl-3-[1-[1,6-dimethyl-2-(trifluoromethyl)benzimidazol-5-yl]ethenyl-methylamino]-6-(trifluoromethyl)pyridin-2-one
PubChem CID130330967
Molecular FormulaC22H21F6N5O
Molecular Weight485.43 g/mol
Exact Mass485.17
IUPAC Name4-amino-1-cyclopropyl-3-[1-[1,6-dimethyl-2-(trifluoromethyl)benzimidazol-5-yl]ethenyl-methylamino]-6-(trifluoromethyl)pyridin-2-one
SMILESC=C(c1cc2nc(C(F)(F)F)n(C)c2cc1C)N(C)c1c(N)cc(C(F)(F)F)n(C2CC2)c1=O
InChIInChI=1S/C22H21F6N5O/c1-10-7-16-15(30-20(32(16)4)22(26,27)28)8-13(10)11(2)31(3)18-14(29)9-17(21(23,24)25)33(19(18)34)12-5-6-12/h7-9,12H,2,5-6,29H2,1,3-4H3
InChIKeyTWCKFFMYLMDUCY-UHFFFAOYSA-N
XLogP5.11
TPSA69.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.43
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-amino-1-cyclopropyl-3-[1-[1,6-dimethyl-2-(trifluoromethyl)benzimidazol-5-yl]ethenyl-methylamino]-6-(trifluoromethyl)pyridin-2-one 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

5-cyclopropyl-2-[6-ethylsulfanyl-1-methyl-2-(trifluoromethyl)benzimidazol-5-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one
CID 130330958
2-(6-amino-5-bromo-3-ethylsulfinyl-2-pyridinyl)-5-cyclopropyl-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one
CID 155172215
1-(1-methylpiperidin-4-yl)-2-(trifluoromethyl)benzimidazol-5-amine
CID 62507699
6-chloro-1-methyl-2-(trifluoromethyl)benzimidazole
CID 10331616
ethane;1-methyl-2-(trifluoromethyl)benzimidazol-4-amine
CID 143205877
5-cyclopropyl-2-[3-ethylsulfonyl-5-[4-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one
CID 129183411
1-(1-methylpiperidin-3-yl)-2-(trifluoromethyl)benzimidazol-5-amine
CID 62506569
1-methyl-6-nitro-2-(trifluoromethyl)benzimidazole
CID 67283381
2-(1,1-dioxothian-4-yl)-3-methyl-6-(2,2,2-trifluoroethoxy)benzimidazol-5-amine
CID 134399501
2-chloro-1-cyclopropyl-5,6-dimethylbenzimidazole
CID 83838088
4,6,7-trimethyl-3-oxoquinoxaline-2-carboxamide
CID 175952260
2-(6-fluoro-1,5-dimethylbenzimidazol-2-yl)propan-2-amine
CID 83857842

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-cyclopropyl-3-[1-[1,6-dimethyl-2-(trifluoromethyl)benzimidazol-5-yl]ethenyl-methylamino]-6-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 4-amino-1-cyclopropyl-3-[1-[1,6-dimethyl-2-(trifluoromethyl)benzimidazol-5-yl]ethenyl-methylamino]-6-(trifluoromethyl)pyridin-2-one (CID 130330967) is 4-amino-1-cyclopropyl-3-[1-[1,6-dimethyl-2-(trifluoromethyl)benzimidazol-5-yl]ethenyl-methylamino]-6-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 4-amino-1-cyclopropyl-3-[1-[1,6-dimethyl-2-(trifluoromethyl)benzimidazol-5-yl]ethenyl-methylamino]-6-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 4-amino-1-cyclopropyl-3-[1-[1,6-dimethyl-2-(trifluoromethyl)benzimidazol-5-yl]ethenyl-methylamino]-6-(trifluoromethyl)pyridin-2-one is C=C(c1cc2nc(C(F)(F)F)n(C)c2cc1C)N(C)c1c(N)cc(C(F)(F)F)n(C2CC2)c1=O.
What is the InChIKey of 4-amino-1-cyclopropyl-3-[1-[1,6-dimethyl-2-(trifluoromethyl)benzimidazol-5-yl]ethenyl-methylamino]-6-(trifluoromethyl)pyridin-2-one?
The InChIKey is TWCKFFMYLMDUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F6N5O/c1-10-7-16-15(30-20(32(16)4)22(26,27)28)8-13(10)11(2)31(3)18-14(29)9-17(21(23,24)25)33(19(18)34)12-5-6-12/h7-9,12H,2,5-6,29H2,1,3-4H3.
What are the key properties of 4-amino-1-cyclopropyl-3-[1-[1,6-dimethyl-2-(trifluoromethyl)benzimidazol-5-yl]ethenyl-methylamino]-6-(trifluoromethyl)pyridin-2-one?
4-amino-1-cyclopropyl-3-[1-[1,6-dimethyl-2-(trifluoromethyl)benzimidazol-5-yl]ethenyl-methylamino]-6-(trifluoromethyl)pyridin-2-one has a molecular weight of 485.43 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-cyclopropyl-3-[1-[1,6-dimethyl-2-(trifluoromethyl)benzimidazol-5-yl]ethenyl-methylamino]-6-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 130330967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).