1H-benzimidazol-2-yl-[4-[(3-pyridin-4-yl-2-pyridinyl)oxy]phenyl]methanone

C24H16N4O2 — CID 46216063

IUPAC1H-benzimidazol-2-yl-[4-[(3-pyridin-4-yl-2-pyridinyl)oxy]phenyl]methanone
SMILESO=C(c1ccc(Oc2ncccc2-c2ccncc2)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C24H16N4O2/c29-22(23-27-20-5-1-2-6-21(20)28-23)17-7-9-18(10-8-17)30-24-19(4-3-13-26-24)16-11-14-25-15-12-16/h1-15H,(H,27,28)
InChIKeyNWFKNDRADJHJJH-UHFFFAOYSA-N
MW392.42 g/mol
LogP5.04
Rot. Bonds5

About 1H-benzimidazol-2-yl-[4-[(3-pyridin-4-yl-2-pyridinyl)oxy]phenyl]methanone

1H-benzimidazol-2-yl-[4-[(3-pyridin-4-yl-2-pyridinyl)oxy]phenyl]methanone (PubChem CID 46216063) has the molecular formula C24H16N4O2 and a molecular weight of 392.42 g/mol. Its IUPAC name is 1H-benzimidazol-2-yl-[4-[(3-pyridin-4-yl-2-pyridinyl)oxy]phenyl]methanone.

Molecular Properties

Compound Name1H-benzimidazol-2-yl-[4-[(3-pyridin-4-yl-2-pyridinyl)oxy]phenyl]methanone
PubChem CID46216063
Molecular FormulaC24H16N4O2
Molecular Weight392.42 g/mol
Exact Mass392.13
IUPAC Name1H-benzimidazol-2-yl-[4-[(3-pyridin-4-yl-2-pyridinyl)oxy]phenyl]methanone
SMILESO=C(c1ccc(Oc2ncccc2-c2ccncc2)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C24H16N4O2/c29-22(23-27-20-5-1-2-6-21(20)28-23)17-7-9-18(10-8-17)30-24-19(4-3-13-26-24)16-11-14-25-15-12-16/h1-15H,(H,27,28)
InChIKeyNWFKNDRADJHJJH-UHFFFAOYSA-N
XLogP5.04
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.42
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Amg 579
CID 59351313
1h-Benzimidazol-2-Yl(4-{[3-(Tetrahydro-2h-Pyran-4-Yl)pyridin-2-Yl]oxy}phenyl)methanone
CID 59326858
N-(3-fluoro-4-{1H-pyrrolo[2,3-b]pyridin-4-yloxy}phenyl)-6-phenylpyridine-2-carboxamide
CID 21081778
N-methyl-4-[(2-{[4-(trifluoromethyl)phenyl]amino}-1H-1,3-benzodiazol-5-yl)oxy]pyridine-2-carboxamide
CID 22040627
4-({2-[(4-tert-butylphenyl)amino]-1H-1,3-benzodiazol-5-yl}oxy)-N-methylpyridine-2-carboxamide
CID 22040656
N-methyl-4-[(2-{[2-(trifluoromethyl)phenyl]amino}-1H-1,3-benzodiazol-5-yl)oxy]pyridine-2-carboxamide
CID 22040857
N-methyl-4-[(2-{[3-(trifluoromethyl)phenyl]amino}-1H-1,3-benzodiazol-5-yl)oxy]pyridine-2-carboxamide
CID 22041119
4-({2-[(3-tert-butylphenyl)amino]-1H-1,3-benzodiazol-5-yl}oxy)-N-methylpyridine-2-carboxamide
CID 22041175
2-[(3-fluoro-4-{1H-pyrrolo[2,3-b]pyridin-4-yloxy}phenyl)carbamoyl]-1-oxido-6-phenylpyridin-1-ium
CID 24901689
2-[(3-fluoro-4-{1H-pyrrolo[2,3-b]pyridin-4-yloxy}phenyl)carbamoyl]-6-(4-fluorophenyl)-1-oxidopyridin-1-ium
CID 24901690
2-{4-[(6,7-Difluoro-1h-Benzimidazol-2-Yl)amino]phenoxy}-N-Methyl-3,4'-Bipyridin-2'-Amine
CID 24983496
N-methyl-4-[(2-{methyl[3-(pyridin-4-yl)phenyl]amino}-1H-1,3-benzodiazol-5-yl)oxy]pyridine-2-carboxamide
CID 25137960

Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazol-2-yl-[4-[(3-pyridin-4-yl-2-pyridinyl)oxy]phenyl]methanone?
The IUPAC name of 1H-benzimidazol-2-yl-[4-[(3-pyridin-4-yl-2-pyridinyl)oxy]phenyl]methanone (CID 46216063) is 1H-benzimidazol-2-yl-[4-[(3-pyridin-4-yl-2-pyridinyl)oxy]phenyl]methanone.
What is the SMILES notation for 1H-benzimidazol-2-yl-[4-[(3-pyridin-4-yl-2-pyridinyl)oxy]phenyl]methanone?
The canonical SMILES for 1H-benzimidazol-2-yl-[4-[(3-pyridin-4-yl-2-pyridinyl)oxy]phenyl]methanone is O=C(c1ccc(Oc2ncccc2-c2ccncc2)cc1)c1nc2ccccc2[nH]1.
What is the InChIKey of 1H-benzimidazol-2-yl-[4-[(3-pyridin-4-yl-2-pyridinyl)oxy]phenyl]methanone?
The InChIKey is NWFKNDRADJHJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N4O2/c29-22(23-27-20-5-1-2-6-21(20)28-23)17-7-9-18(10-8-17)30-24-19(4-3-13-26-24)16-11-14-25-15-12-16/h1-15H,(H,27,28).
What are the key properties of 1H-benzimidazol-2-yl-[4-[(3-pyridin-4-yl-2-pyridinyl)oxy]phenyl]methanone?
1H-benzimidazol-2-yl-[4-[(3-pyridin-4-yl-2-pyridinyl)oxy]phenyl]methanone has a molecular weight of 392.42 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazol-2-yl-[4-[(3-pyridin-4-yl-2-pyridinyl)oxy]phenyl]methanone is sourced from PubChem (CID 46216063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).