2-[4-[[2-(2-ethylanilino)-3H-benzimidazol-5-yl]oxy]-2-pyridinyl]acetamide

C22H21N5O2 — CID 22041257

IUPAC2-[4-[[2-(2-ethylanilino)-3H-benzimidazol-5-yl]oxy]-2-pyridinyl]acetamide
SMILESCCc1ccccc1Nc1nc2ccc(Oc3ccnc(CC(N)=O)c3)cc2[nH]1
InChIInChI=1S/C22H21N5O2/c1-2-14-5-3-4-6-18(14)25-22-26-19-8-7-16(13-20(19)27-22)29-17-9-10-24-15(11-17)12-21(23)28/h3-11,13H,2,12H2,1H3,(H2,23,28)(H2,25,26,27)
InChIKeyUHHRDYNBNGUETK-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.08
Rot. Bonds7

About 2-[4-[[2-(2-ethylanilino)-3H-benzimidazol-5-yl]oxy]-2-pyridinyl]acetamide

2-[4-[[2-(2-ethylanilino)-3H-benzimidazol-5-yl]oxy]-2-pyridinyl]acetamide (PubChem CID 22041257) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is 2-[4-[[2-(2-ethylanilino)-3H-benzimidazol-5-yl]oxy]-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-[4-[[2-(2-ethylanilino)-3H-benzimidazol-5-yl]oxy]-2-pyridinyl]acetamide
PubChem CID22041257
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Name2-[4-[[2-(2-ethylanilino)-3H-benzimidazol-5-yl]oxy]-2-pyridinyl]acetamide
SMILESCCc1ccccc1Nc1nc2ccc(Oc3ccnc(CC(N)=O)c3)cc2[nH]1
InChIInChI=1S/C22H21N5O2/c1-2-14-5-3-4-6-18(14)25-22-26-19-8-7-16(13-20(19)27-22)29-17-9-10-24-15(11-17)12-21(23)28/h3-11,13H,2,12H2,1H3,(H2,23,28)(H2,25,26,27)
InChIKeyUHHRDYNBNGUETK-UHFFFAOYSA-N
XLogP4.08
TPSA105.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[(2-anilino-3H-benzimidazol-5-yl)oxy]-2-pyridinyl]propan-1-one
CID 157132919
4-[[2-(2-fluoroanilino)-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide
CID 21037145
4-[[2-(2-methoxyanilino)-3H-benzimidazol-5-yl]oxy]-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 11155078
4-[[2-[2-chloro-5-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide
CID 143028856
ethyl 2-(2-bromoanilino)-3H-benzimidazole-5-carboxylate
CID 82563178
2-[4-[2-(4-methoxyanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide
CID 22041271
1-[(2-methoxyphenyl)methyl]-3-[6-[[2-[(2-methoxyphenyl)methylcarbamoylamino]-3H-benzimidazol-5-yl]oxy]-1H-benzimidazol-2-yl]urea
CID 142774094
6-methoxy-N-(2-methoxyphenyl)-1H-benzimidazol-2-amine
CID 82562560
4-[[2-(4-tert-butylanilino)-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide
CID 22040656
1-[6-(3-ethylphenoxy)-1H-benzimidazol-2-yl]-3-methylurea
CID 118709938
4-[[2-[2-chloro-5-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide
CID 21037137
6-methoxy-N-[2-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine
CID 82562585

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(2-ethylanilino)-3H-benzimidazol-5-yl]oxy]-2-pyridinyl]acetamide?
The IUPAC name of 2-[4-[[2-(2-ethylanilino)-3H-benzimidazol-5-yl]oxy]-2-pyridinyl]acetamide (CID 22041257) is 2-[4-[[2-(2-ethylanilino)-3H-benzimidazol-5-yl]oxy]-2-pyridinyl]acetamide.
What is the SMILES notation for 2-[4-[[2-(2-ethylanilino)-3H-benzimidazol-5-yl]oxy]-2-pyridinyl]acetamide?
The canonical SMILES for 2-[4-[[2-(2-ethylanilino)-3H-benzimidazol-5-yl]oxy]-2-pyridinyl]acetamide is CCc1ccccc1Nc1nc2ccc(Oc3ccnc(CC(N)=O)c3)cc2[nH]1.
What is the InChIKey of 2-[4-[[2-(2-ethylanilino)-3H-benzimidazol-5-yl]oxy]-2-pyridinyl]acetamide?
The InChIKey is UHHRDYNBNGUETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-2-14-5-3-4-6-18(14)25-22-26-19-8-7-16(13-20(19)27-22)29-17-9-10-24-15(11-17)12-21(23)28/h3-11,13H,2,12H2,1H3,(H2,23,28)(H2,25,26,27).
What are the key properties of 2-[4-[[2-(2-ethylanilino)-3H-benzimidazol-5-yl]oxy]-2-pyridinyl]acetamide?
2-[4-[[2-(2-ethylanilino)-3H-benzimidazol-5-yl]oxy]-2-pyridinyl]acetamide has a molecular weight of 387.44 g/mol, XLogP of 4.08, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(2-ethylanilino)-3H-benzimidazol-5-yl]oxy]-2-pyridinyl]acetamide is sourced from PubChem (CID 22041257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).