N-[1-[4-methyl-6-(nitrosomethyl)-3-pyridinyl]ethenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-amine

C20H18F3N5O — CID 134448042

IUPACN-[1-[4-methyl-6-(nitrosomethyl)-3-pyridinyl]ethenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-amine
SMILESC=C(Nc1cn(Cc2cccc(C(F)(F)F)c2)cn1)c1cnc(CN=O)cc1C
InChIInChI=1S/C20H18F3N5O/c1-13-6-17(8-26-29)24-9-18(13)14(2)27-19-11-28(12-25-19)10-15-4-3-5-16(7-15)20(21,22)23/h3-7,9,11-12,27H,2,8,10H2,1H3
InChIKeyRMUYXLACWPSEED-UHFFFAOYSA-N
MW401.39 g/mol
LogP5.00
Rot. Bonds7

About N-[1-[4-methyl-6-(nitrosomethyl)-3-pyridinyl]ethenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-amine

N-[1-[4-methyl-6-(nitrosomethyl)-3-pyridinyl]ethenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-amine (PubChem CID 134448042) has the molecular formula C20H18F3N5O and a molecular weight of 401.39 g/mol. Its IUPAC name is N-[1-[4-methyl-6-(nitrosomethyl)-3-pyridinyl]ethenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-amine.

Molecular Properties

Compound NameN-[1-[4-methyl-6-(nitrosomethyl)-3-pyridinyl]ethenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-amine
PubChem CID134448042
Molecular FormulaC20H18F3N5O
Molecular Weight401.39 g/mol
Exact Mass401.15
IUPAC NameN-[1-[4-methyl-6-(nitrosomethyl)-3-pyridinyl]ethenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-amine
SMILESC=C(Nc1cn(Cc2cccc(C(F)(F)F)c2)cn1)c1cnc(CN=O)cc1C
InChIInChI=1S/C20H18F3N5O/c1-13-6-17(8-26-29)24-9-18(13)14(2)27-19-11-28(12-25-19)10-15-4-3-5-16(7-15)20(21,22)23/h3-7,9,11-12,27H,2,8,10H2,1H3
InChIKeyRMUYXLACWPSEED-UHFFFAOYSA-N
XLogP5.00
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.39
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-[4-methyl-6-(nitrosomethyl)-3-pyridinyl]ethenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-amine 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

2-(hydroxymethyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]-1,3-thiazole-5-carboxamide
CID 129205666
5-bromo-6-ethenyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-3-carboxamide
CID 129233338
6-chloro-5-methoxy-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-3-carboxamide
CID 129233123
4-ethyl-5-(methylaminomethyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-2-carboxamide
CID 134525338
2-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]-3,4-dihydro-1H-isoquinoline-6-carboxamide
CID 134518215
6-(aminomethyl)-N-[1-[(3-methylphenyl)methyl]imidazol-4-yl]pyridine-3-carboxamide
CID 129224371
N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]-5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxamide
CID 134518216
1-[[3-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxylic acid
CID 86277033
4,4-dimethyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]-2,3-dihydro-1H-isoquinoline-6-carboxamide
CID 135211826
5-bromo-6-(1,2-dihydroxyethyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-3-carboxamide
CID 129233156
1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-amine
CID 129205660
4-iodo-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole
CID 90149446

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-methyl-6-(nitrosomethyl)-3-pyridinyl]ethenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-amine?
The IUPAC name of N-[1-[4-methyl-6-(nitrosomethyl)-3-pyridinyl]ethenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-amine (CID 134448042) is N-[1-[4-methyl-6-(nitrosomethyl)-3-pyridinyl]ethenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-amine.
What is the SMILES notation for N-[1-[4-methyl-6-(nitrosomethyl)-3-pyridinyl]ethenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-amine?
The canonical SMILES for N-[1-[4-methyl-6-(nitrosomethyl)-3-pyridinyl]ethenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-amine is C=C(Nc1cn(Cc2cccc(C(F)(F)F)c2)cn1)c1cnc(CN=O)cc1C.
What is the InChIKey of N-[1-[4-methyl-6-(nitrosomethyl)-3-pyridinyl]ethenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-amine?
The InChIKey is RMUYXLACWPSEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N5O/c1-13-6-17(8-26-29)24-9-18(13)14(2)27-19-11-28(12-25-19)10-15-4-3-5-16(7-15)20(21,22)23/h3-7,9,11-12,27H,2,8,10H2,1H3.
What are the key properties of N-[1-[4-methyl-6-(nitrosomethyl)-3-pyridinyl]ethenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-amine?
N-[1-[4-methyl-6-(nitrosomethyl)-3-pyridinyl]ethenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-amine has a molecular weight of 401.39 g/mol, XLogP of 5.00, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-methyl-6-(nitrosomethyl)-3-pyridinyl]ethenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-amine is sourced from PubChem (CID 134448042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).