5-[(2-amino-4-pyridinyl)oxy]-N-(4-chlorophenyl)-1-methylbenzimidazol-2-amine

C19H16ClN5O — CID 69290969

IUPAC5-[(2-amino-4-pyridinyl)oxy]-N-(4-chlorophenyl)-1-methylbenzimidazol-2-amine
SMILESCn1c(Nc2ccc(Cl)cc2)nc2cc(Oc3ccnc(N)c3)ccc21
InChIInChI=1S/C19H16ClN5O/c1-25-17-7-6-14(26-15-8-9-22-18(21)11-15)10-16(17)24-19(25)23-13-4-2-12(20)3-5-13/h2-11H,1H3,(H2,21,22)(H,23,24)
InChIKeyCOXQUXIUZHGIQH-UHFFFAOYSA-N
MW365.82 g/mol
LogP4.74
Rot. Bonds4

About 5-[(2-amino-4-pyridinyl)oxy]-N-(4-chlorophenyl)-1-methylbenzimidazol-2-amine

5-[(2-amino-4-pyridinyl)oxy]-N-(4-chlorophenyl)-1-methylbenzimidazol-2-amine (PubChem CID 69290969) has the molecular formula C19H16ClN5O and a molecular weight of 365.82 g/mol. Its IUPAC name is 5-[(2-amino-4-pyridinyl)oxy]-N-(4-chlorophenyl)-1-methylbenzimidazol-2-amine.

Molecular Properties

Compound Name5-[(2-amino-4-pyridinyl)oxy]-N-(4-chlorophenyl)-1-methylbenzimidazol-2-amine
PubChem CID69290969
Molecular FormulaC19H16ClN5O
Molecular Weight365.82 g/mol
Exact Mass365.10
IUPAC Name5-[(2-amino-4-pyridinyl)oxy]-N-(4-chlorophenyl)-1-methylbenzimidazol-2-amine
SMILESCn1c(Nc2ccc(Cl)cc2)nc2cc(Oc3ccnc(N)c3)ccc21
InChIInChI=1S/C19H16ClN5O/c1-25-17-7-6-14(26-15-8-9-22-18(21)11-15)10-16(17)24-19(25)23-13-4-2-12(20)3-5-13/h2-11H,1H3,(H2,21,22)(H,23,24)
InChIKeyCOXQUXIUZHGIQH-UHFFFAOYSA-N
XLogP4.74
TPSA77.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.82
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-(4-chloroanilino)-1-methylbenzimidazol-5-yl]oxy-N-(2,3-dihydroxypropyl)pyridine-2-carboxamide
CID 22041213
4-[1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxypyridine-2-carbonitrile
CID 70839088
N-[2-[[4-[2-(4-chloroanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-formylamino]ethyl]acetamide
CID 89154478
2-[4-[2-(4-methoxyanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide
CID 22041271
N-methyl-4-[1-methyl-2-[4-(methylamino)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide
CID 22041311
CID 89129994
CID 89129994
N-(4-bromophenyl)-5-[[2-[(dimethylamino)methyl]-4-pyridinyl]oxy]-1-methylbenzimidazol-2-amine
CID 21037353
2-amino-N-[4-[2-(4-bromoanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide
CID 59790226
4-[1-methyl-2-[4-(trifluoromethyl)anilino]benzimidazol-5-yl]oxypyridine-2-carbaldehyde
CID 91351416
N-(4-ethylphenyl)-1-methyl-5-[[2-(nitrosomethyl)-4-pyridinyl]oxy]benzimidazol-2-amine
CID 91229348
ethyl 2-[4-[2-(4-ethylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetate
CID 159027962
4-[2-[4-(dimethylamino)anilino]-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide
CID 21037270

Frequently Asked Questions

What is the IUPAC name of 5-[(2-amino-4-pyridinyl)oxy]-N-(4-chlorophenyl)-1-methylbenzimidazol-2-amine?
The IUPAC name of 5-[(2-amino-4-pyridinyl)oxy]-N-(4-chlorophenyl)-1-methylbenzimidazol-2-amine (CID 69290969) is 5-[(2-amino-4-pyridinyl)oxy]-N-(4-chlorophenyl)-1-methylbenzimidazol-2-amine.
What is the SMILES notation for 5-[(2-amino-4-pyridinyl)oxy]-N-(4-chlorophenyl)-1-methylbenzimidazol-2-amine?
The canonical SMILES for 5-[(2-amino-4-pyridinyl)oxy]-N-(4-chlorophenyl)-1-methylbenzimidazol-2-amine is Cn1c(Nc2ccc(Cl)cc2)nc2cc(Oc3ccnc(N)c3)ccc21.
What is the InChIKey of 5-[(2-amino-4-pyridinyl)oxy]-N-(4-chlorophenyl)-1-methylbenzimidazol-2-amine?
The InChIKey is COXQUXIUZHGIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5O/c1-25-17-7-6-14(26-15-8-9-22-18(21)11-15)10-16(17)24-19(25)23-13-4-2-12(20)3-5-13/h2-11H,1H3,(H2,21,22)(H,23,24).
What are the key properties of 5-[(2-amino-4-pyridinyl)oxy]-N-(4-chlorophenyl)-1-methylbenzimidazol-2-amine?
5-[(2-amino-4-pyridinyl)oxy]-N-(4-chlorophenyl)-1-methylbenzimidazol-2-amine has a molecular weight of 365.82 g/mol, XLogP of 4.74, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-amino-4-pyridinyl)oxy]-N-(4-chlorophenyl)-1-methylbenzimidazol-2-amine is sourced from PubChem (CID 69290969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).