2-[4-[2-(4-methoxyanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide

C22H21N5O3 — CID 22041271

IUPAC2-[4-[2-(4-methoxyanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide
SMILESCOc1ccc(Nc2nc3cc(Oc4ccnc(CC(N)=O)c4)ccc3n2C)cc1
InChIInChI=1S/C22H21N5O3/c1-27-20-8-7-17(30-18-9-10-24-15(11-18)12-21(23)28)13-19(20)26-22(27)25-14-3-5-16(29-2)6-4-14/h3-11,13H,12H2,1-2H3,(H2,23,28)(H,25,26)
InChIKeyLDRKXBRXUZNUSQ-UHFFFAOYSA-N
MW403.44 g/mol
LogP3.54
Rot. Bonds7

About 2-[4-[2-(4-methoxyanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide

2-[4-[2-(4-methoxyanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide (PubChem CID 22041271) has the molecular formula C22H21N5O3 and a molecular weight of 403.44 g/mol. Its IUPAC name is 2-[4-[2-(4-methoxyanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-[4-[2-(4-methoxyanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide
PubChem CID22041271
Molecular FormulaC22H21N5O3
Molecular Weight403.44 g/mol
Exact Mass403.16
IUPAC Name2-[4-[2-(4-methoxyanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide
SMILESCOc1ccc(Nc2nc3cc(Oc4ccnc(CC(N)=O)c4)ccc3n2C)cc1
InChIInChI=1S/C22H21N5O3/c1-27-20-8-7-17(30-18-9-10-24-15(11-18)12-21(23)28)13-19(20)26-22(27)25-14-3-5-16(29-2)6-4-14/h3-11,13H,12H2,1-2H3,(H2,23,28)(H,25,26)
InChIKeyLDRKXBRXUZNUSQ-UHFFFAOYSA-N
XLogP3.54
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-methoxy-3-[4-[1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one
CID 161256236
ethyl 2-[4-[2-(4-ethylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetate
CID 159027962
1-[4-[2-(3,5-dimethylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one
CID 158627942
methyl N-[[4-[2-(4-bromoanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]methyl]carbamate
CID 21037312
1-[4-[1-methyl-2-(3-methyl-4-propan-2-ylanilino)benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one
CID 158851241
methyl 2-[4-[2-(3-tert-butylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetate
CID 162200780
N-[5-[[2-(2-amino-2-oxoethyl)-4-pyridinyl]oxy]-1-methylbenzimidazol-2-yl]-4-(chloromethyl)benzamide
CID 22040957
CID 89129994
CID 89129994
1-[4-[1-methyl-2-(3-propan-2-ylanilino)benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one
CID 159742313
N-(4-ethylphenyl)-1-methyl-5-[[2-(nitrosomethyl)-4-pyridinyl]oxy]benzimidazol-2-amine
CID 91229348
2-[[4-[1-methyl-2-[4-(trifluoromethyl)anilino]benzimidazol-5-yl]oxy-2-pyridinyl]amino]acetamide
CID 69035653
N-(4-bromophenyl)-5-[[2-[(dimethylamino)methyl]-4-pyridinyl]oxy]-1-methylbenzimidazol-2-amine
CID 21037353

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-methoxyanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide?
The IUPAC name of 2-[4-[2-(4-methoxyanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide (CID 22041271) is 2-[4-[2-(4-methoxyanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide.
What is the SMILES notation for 2-[4-[2-(4-methoxyanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide?
The canonical SMILES for 2-[4-[2-(4-methoxyanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide is COc1ccc(Nc2nc3cc(Oc4ccnc(CC(N)=O)c4)ccc3n2C)cc1.
What is the InChIKey of 2-[4-[2-(4-methoxyanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide?
The InChIKey is LDRKXBRXUZNUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O3/c1-27-20-8-7-17(30-18-9-10-24-15(11-18)12-21(23)28)13-19(20)26-22(27)25-14-3-5-16(29-2)6-4-14/h3-11,13H,12H2,1-2H3,(H2,23,28)(H,25,26).
What are the key properties of 2-[4-[2-(4-methoxyanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide?
2-[4-[2-(4-methoxyanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide has a molecular weight of 403.44 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-methoxyanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide is sourced from PubChem (CID 22041271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).