1-[4-[(2-anilino-3H-benzimidazol-5-yl)oxy]-2-pyridinyl]propan-1-one

C21H18N4O2 — CID 157132919

IUPAC1-[4-[(2-anilino-3H-benzimidazol-5-yl)oxy]-2-pyridinyl]propan-1-one
SMILESCCC(=O)c1cc(Oc2ccc3nc(Nc4ccccc4)[nH]c3c2)ccn1
InChIInChI=1S/C21H18N4O2/c1-2-20(26)19-13-16(10-11-22-19)27-15-8-9-17-18(12-15)25-21(24-17)23-14-6-4-3-5-7-14/h3-13H,2H2,1H3,(H2,23,24,25)
InChIKeyAJGZKTHUIZDNGX-UHFFFAOYSA-N
MW358.40 g/mol
LogP5.09
Rot. Bonds6

About 1-[4-[(2-anilino-3H-benzimidazol-5-yl)oxy]-2-pyridinyl]propan-1-one

1-[4-[(2-anilino-3H-benzimidazol-5-yl)oxy]-2-pyridinyl]propan-1-one (PubChem CID 157132919) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is 1-[4-[(2-anilino-3H-benzimidazol-5-yl)oxy]-2-pyridinyl]propan-1-one.

Molecular Properties

Compound Name1-[4-[(2-anilino-3H-benzimidazol-5-yl)oxy]-2-pyridinyl]propan-1-one
PubChem CID157132919
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC Name1-[4-[(2-anilino-3H-benzimidazol-5-yl)oxy]-2-pyridinyl]propan-1-one
SMILESCCC(=O)c1cc(Oc2ccc3nc(Nc4ccccc4)[nH]c3c2)ccn1
InChIInChI=1S/C21H18N4O2/c1-2-20(26)19-13-16(10-11-22-19)27-15-8-9-17-18(12-15)25-21(24-17)23-14-6-4-3-5-7-14/h3-13H,2H2,1H3,(H2,23,24,25)
InChIKeyAJGZKTHUIZDNGX-UHFFFAOYSA-N
XLogP5.09
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.40
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-(4-tert-butylanilino)-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide
CID 22040656
4-[[2-(2-fluoroanilino)-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide
CID 21037145
1-[4-[[2-[4-chloro-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-2-pyridinyl]ethanone
CID 118886684
3-[(6-ethoxy-1H-benzimidazol-2-yl)amino]benzoic acid
CID 50878352
2-[4-[[2-(2-ethylanilino)-3H-benzimidazol-5-yl]oxy]-2-pyridinyl]acetamide
CID 22041257
4-[[2-(2-methoxyanilino)-3H-benzimidazol-5-yl]oxy]-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 11155078
4-[[2-[4-chloro-3-(1,1-difluoroethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide
CID 142815596
4-[[2-(cyclohexylmethylamino)-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide
CID 71019338
N-methyl-4-[[2-[3-[3-(trifluoromethyl)-4-pyridinyl]anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide;molecular hydrogen
CID 159099753
4-[[2-(4-bromoanilino)-3H-benzimidazol-5-yl]oxy]-N-[(3R)-3-(methoxymethyl)pyrrolidin-3-yl]pyridine-2-carboxamide
CID 68810259
6-ethoxy-N-(4-methoxyphenyl)-1H-benzimidazol-2-amine
CID 50878343
4-[[2-[2-chloro-5-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide
CID 21037137

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-anilino-3H-benzimidazol-5-yl)oxy]-2-pyridinyl]propan-1-one?
The IUPAC name of 1-[4-[(2-anilino-3H-benzimidazol-5-yl)oxy]-2-pyridinyl]propan-1-one (CID 157132919) is 1-[4-[(2-anilino-3H-benzimidazol-5-yl)oxy]-2-pyridinyl]propan-1-one.
What is the SMILES notation for 1-[4-[(2-anilino-3H-benzimidazol-5-yl)oxy]-2-pyridinyl]propan-1-one?
The canonical SMILES for 1-[4-[(2-anilino-3H-benzimidazol-5-yl)oxy]-2-pyridinyl]propan-1-one is CCC(=O)c1cc(Oc2ccc3nc(Nc4ccccc4)[nH]c3c2)ccn1.
What is the InChIKey of 1-[4-[(2-anilino-3H-benzimidazol-5-yl)oxy]-2-pyridinyl]propan-1-one?
The InChIKey is AJGZKTHUIZDNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c1-2-20(26)19-13-16(10-11-22-19)27-15-8-9-17-18(12-15)25-21(24-17)23-14-6-4-3-5-7-14/h3-13H,2H2,1H3,(H2,23,24,25).
What are the key properties of 1-[4-[(2-anilino-3H-benzimidazol-5-yl)oxy]-2-pyridinyl]propan-1-one?
1-[4-[(2-anilino-3H-benzimidazol-5-yl)oxy]-2-pyridinyl]propan-1-one has a molecular weight of 358.40 g/mol, XLogP of 5.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-anilino-3H-benzimidazol-5-yl)oxy]-2-pyridinyl]propan-1-one is sourced from PubChem (CID 157132919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).