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

C22H21N5O2 — CID 91229348

IUPACN-(4-ethylphenyl)-1-methyl-5-[[2-(nitrosomethyl)-4-pyridinyl]oxy]benzimidazol-2-amine
SMILESCCc1ccc(Nc2nc3cc(Oc4ccnc(CN=O)c4)ccc3n2C)cc1
InChIInChI=1S/C22H21N5O2/c1-3-15-4-6-16(7-5-15)25-22-26-20-13-18(8-9-21(20)27(22)2)29-19-10-11-23-17(12-19)14-24-28/h4-13H,3,14H2,1-2H3,(H,25,26)
InChIKeyQEQLHBHDUNPWFB-UHFFFAOYSA-N
MW387.44 g/mol
LogP5.33
Rot. Bonds7

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

N-(4-ethylphenyl)-1-methyl-5-[[2-(nitrosomethyl)-4-pyridinyl]oxy]benzimidazol-2-amine (PubChem CID 91229348) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-(4-ethylphenyl)-1-methyl-5-[[2-(nitrosomethyl)-4-pyridinyl]oxy]benzimidazol-2-amine.

Molecular Properties

Compound NameN-(4-ethylphenyl)-1-methyl-5-[[2-(nitrosomethyl)-4-pyridinyl]oxy]benzimidazol-2-amine
PubChem CID91229348
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC NameN-(4-ethylphenyl)-1-methyl-5-[[2-(nitrosomethyl)-4-pyridinyl]oxy]benzimidazol-2-amine
SMILESCCc1ccc(Nc2nc3cc(Oc4ccnc(CN=O)c4)ccc3n2C)cc1
InChIInChI=1S/C22H21N5O2/c1-3-15-4-6-16(7-5-15)25-22-26-20-13-18(8-9-21(20)27(22)2)29-19-10-11-23-17(12-19)14-24-28/h4-13H,3,14H2,1-2H3,(H,25,26)
InChIKeyQEQLHBHDUNPWFB-UHFFFAOYSA-N
XLogP5.33
TPSA81.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.44
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,4-dimethylphenyl)-1-methyl-5-[[2-(nitrosomethyl)-4-pyridinyl]oxy]benzimidazol-2-amine
CID 91112791
ethyl 2-[4-[2-(4-ethylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetate
CID 159027962
4-[2-(4-ethylanilino)-1-methylbenzimidazol-5-yl]oxy-N,N-dimethylpyridine-2-carboxamide
CID 21037272
N-[2-chloro-4-(trifluoromethyl)phenyl]-1-methyl-5-[[2-(nitrosomethyl)-4-pyridinyl]oxy]benzimidazol-2-amine
CID 90819101
2-[4-[2-(4-methoxyanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide
CID 22041271
CID 89129994
CID 89129994
3-tert-butyl-4-[2-(4-ethylanilino)-1-methylbenzimidazol-5-yl]oxypyridine-2-carboxylic acid
CID 22040894
N-(4-bromophenyl)-5-[[2-[(dimethylamino)methyl]-4-pyridinyl]oxy]-1-methylbenzimidazol-2-amine
CID 21037353
1-methoxy-3-[4-[1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one
CID 161256236
methyl N-[[4-[2-(4-bromoanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]methyl]carbamate
CID 21037312
1-[4-[2-(3,5-dimethylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one
CID 158627942
5-[(2-amino-4-pyridinyl)oxy]-N-(4-chlorophenyl)-1-methylbenzimidazol-2-amine
CID 69290969

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-1-methyl-5-[[2-(nitrosomethyl)-4-pyridinyl]oxy]benzimidazol-2-amine?
The IUPAC name of N-(4-ethylphenyl)-1-methyl-5-[[2-(nitrosomethyl)-4-pyridinyl]oxy]benzimidazol-2-amine (CID 91229348) is N-(4-ethylphenyl)-1-methyl-5-[[2-(nitrosomethyl)-4-pyridinyl]oxy]benzimidazol-2-amine.
What is the SMILES notation for N-(4-ethylphenyl)-1-methyl-5-[[2-(nitrosomethyl)-4-pyridinyl]oxy]benzimidazol-2-amine?
The canonical SMILES for N-(4-ethylphenyl)-1-methyl-5-[[2-(nitrosomethyl)-4-pyridinyl]oxy]benzimidazol-2-amine is CCc1ccc(Nc2nc3cc(Oc4ccnc(CN=O)c4)ccc3n2C)cc1.
What is the InChIKey of N-(4-ethylphenyl)-1-methyl-5-[[2-(nitrosomethyl)-4-pyridinyl]oxy]benzimidazol-2-amine?
The InChIKey is QEQLHBHDUNPWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-3-15-4-6-16(7-5-15)25-22-26-20-13-18(8-9-21(20)27(22)2)29-19-10-11-23-17(12-19)14-24-28/h4-13H,3,14H2,1-2H3,(H,25,26).
What are the key properties of N-(4-ethylphenyl)-1-methyl-5-[[2-(nitrosomethyl)-4-pyridinyl]oxy]benzimidazol-2-amine?
N-(4-ethylphenyl)-1-methyl-5-[[2-(nitrosomethyl)-4-pyridinyl]oxy]benzimidazol-2-amine has a molecular weight of 387.44 g/mol, XLogP of 5.33, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-1-methyl-5-[[2-(nitrosomethyl)-4-pyridinyl]oxy]benzimidazol-2-amine is sourced from PubChem (CID 91229348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).