N-[2-chloro-4-(trifluoromethyl)phenyl]-1-methyl-5-[[2-(nitrosomethyl)-4-pyridinyl]oxy]benzimidazol-2-amine

C21H15ClF3N5O2 — CID 90819101

IUPACN-[2-chloro-4-(trifluoromethyl)phenyl]-1-methyl-5-[[2-(nitrosomethyl)-4-pyridinyl]oxy]benzimidazol-2-amine
SMILESCn1c(Nc2ccc(C(F)(F)F)cc2Cl)nc2cc(Oc3ccnc(CN=O)c3)ccc21
InChIInChI=1S/C21H15ClF3N5O2/c1-30-19-5-3-14(32-15-6-7-26-13(9-15)11-27-31)10-18(19)29-20(30)28-17-4-2-12(8-16(17)22)21(23,24)25/h2-10H,11H2,1H3,(H,28,29)
InChIKeyCYIZIZHIZDQMQW-UHFFFAOYSA-N
MW461.83 g/mol
LogP6.44
Rot. Bonds6

About N-[2-chloro-4-(trifluoromethyl)phenyl]-1-methyl-5-[[2-(nitrosomethyl)-4-pyridinyl]oxy]benzimidazol-2-amine

N-[2-chloro-4-(trifluoromethyl)phenyl]-1-methyl-5-[[2-(nitrosomethyl)-4-pyridinyl]oxy]benzimidazol-2-amine (PubChem CID 90819101) has the molecular formula C21H15ClF3N5O2 and a molecular weight of 461.83 g/mol. Its IUPAC name is N-[2-chloro-4-(trifluoromethyl)phenyl]-1-methyl-5-[[2-(nitrosomethyl)-4-pyridinyl]oxy]benzimidazol-2-amine.

Molecular Properties

Compound NameN-[2-chloro-4-(trifluoromethyl)phenyl]-1-methyl-5-[[2-(nitrosomethyl)-4-pyridinyl]oxy]benzimidazol-2-amine
PubChem CID90819101
Molecular FormulaC21H15ClF3N5O2
Molecular Weight461.83 g/mol
Exact Mass461.09
IUPAC NameN-[2-chloro-4-(trifluoromethyl)phenyl]-1-methyl-5-[[2-(nitrosomethyl)-4-pyridinyl]oxy]benzimidazol-2-amine
SMILESCn1c(Nc2ccc(C(F)(F)F)cc2Cl)nc2cc(Oc3ccnc(CN=O)c3)ccc21
InChIInChI=1S/C21H15ClF3N5O2/c1-30-19-5-3-14(32-15-6-7-26-13(9-15)11-27-31)10-18(19)29-20(30)28-17-4-2-12(8-16(17)22)21(23,24)25/h2-10H,11H2,1H3,(H,28,29)
InChIKeyCYIZIZHIZDQMQW-UHFFFAOYSA-N
XLogP6.44
TPSA81.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.83
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-chloro-4-(trifluoromethyl)phenyl]-1-methyl-5-[[2-(nitrosomethyl)-4-pyridinyl]oxy]benzimidazol-2-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

N-(3,4-dimethylphenyl)-1-methyl-5-[[2-(nitrosomethyl)-4-pyridinyl]oxy]benzimidazol-2-amine
CID 91112791
N-(4-ethylphenyl)-1-methyl-5-[[2-(nitrosomethyl)-4-pyridinyl]oxy]benzimidazol-2-amine
CID 91229348
2-[4-[2-[2-chloro-5-(trifluoromethyl)anilino]-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-1-(1-propan-2-ylpiperidin-4-yl)ethanone
CID 159255162
1-[4-[2-[2-chloro-5-(trifluoromethyl)anilino]-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-3-[4-(2-methoxyethyl)piperazin-1-yl]propan-2-one
CID 152815154
N-[4-[2-[2-chloro-5-(trifluoromethyl)anilino]-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 59790215
4-[1-methyl-2-[4-(trifluoromethyl)anilino]benzimidazol-5-yl]oxypyridine-2-carbaldehyde
CID 91351416
[4-[2-[4-bromo-2-(trifluoromethoxy)anilino]-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]methanol
CID 21037199
1-(4-methylpiperazin-1-yl)-3-[4-[1-methyl-2-[3-(trifluoromethyl)anilino]benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one
CID 159056198
N-methyl-4-[1-methyl-2-[4-(trifluoromethyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide
CID 22041171
2-[[4-[1-methyl-2-[4-(trifluoromethyl)anilino]benzimidazol-5-yl]oxy-2-pyridinyl]amino]acetamide
CID 69035653
4-[2-[2-fluoro-5-(trifluoromethyl)anilino]-1-methylbenzimidazol-5-yl]oxy-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 22040909
N-[4-[1-methyl-2-[4-(trifluoromethyl)anilino]benzimidazol-5-yl]oxy-2-pyridinyl]-2-pyrrolidin-1-ylacetamide
CID 59790124

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-(trifluoromethyl)phenyl]-1-methyl-5-[[2-(nitrosomethyl)-4-pyridinyl]oxy]benzimidazol-2-amine?
The IUPAC name of N-[2-chloro-4-(trifluoromethyl)phenyl]-1-methyl-5-[[2-(nitrosomethyl)-4-pyridinyl]oxy]benzimidazol-2-amine (CID 90819101) is N-[2-chloro-4-(trifluoromethyl)phenyl]-1-methyl-5-[[2-(nitrosomethyl)-4-pyridinyl]oxy]benzimidazol-2-amine.
What is the SMILES notation for N-[2-chloro-4-(trifluoromethyl)phenyl]-1-methyl-5-[[2-(nitrosomethyl)-4-pyridinyl]oxy]benzimidazol-2-amine?
The canonical SMILES for N-[2-chloro-4-(trifluoromethyl)phenyl]-1-methyl-5-[[2-(nitrosomethyl)-4-pyridinyl]oxy]benzimidazol-2-amine is Cn1c(Nc2ccc(C(F)(F)F)cc2Cl)nc2cc(Oc3ccnc(CN=O)c3)ccc21.
What is the InChIKey of N-[2-chloro-4-(trifluoromethyl)phenyl]-1-methyl-5-[[2-(nitrosomethyl)-4-pyridinyl]oxy]benzimidazol-2-amine?
The InChIKey is CYIZIZHIZDQMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClF3N5O2/c1-30-19-5-3-14(32-15-6-7-26-13(9-15)11-27-31)10-18(19)29-20(30)28-17-4-2-12(8-16(17)22)21(23,24)25/h2-10H,11H2,1H3,(H,28,29).
What are the key properties of N-[2-chloro-4-(trifluoromethyl)phenyl]-1-methyl-5-[[2-(nitrosomethyl)-4-pyridinyl]oxy]benzimidazol-2-amine?
N-[2-chloro-4-(trifluoromethyl)phenyl]-1-methyl-5-[[2-(nitrosomethyl)-4-pyridinyl]oxy]benzimidazol-2-amine has a molecular weight of 461.83 g/mol, XLogP of 6.44, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-(trifluoromethyl)phenyl]-1-methyl-5-[[2-(nitrosomethyl)-4-pyridinyl]oxy]benzimidazol-2-amine is sourced from PubChem (CID 90819101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).