4-methoxy-N-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]-1H-benzimidazol-2-amine

C24H24N4O3 — CID 59326854

IUPAC4-methoxy-N-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]-1H-benzimidazol-2-amine
SMILESCOc1cccc2[nH]c(Nc3ccc(Oc4ncccc4C4CCOCC4)cc3)nc12
InChIInChI=1S/C24H24N4O3/c1-29-21-6-2-5-20-22(21)28-24(27-20)26-17-7-9-18(10-8-17)31-23-19(4-3-13-25-23)16-11-14-30-15-12-16/h2-10,13,16H,11-12,14-15H2,1H3,(H2,26,27,28)
InChIKeyUUGNPCRGOSHPOJ-UHFFFAOYSA-N
MW416.48 g/mol
LogP5.40
Rot. Bonds6

About 4-methoxy-N-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]-1H-benzimidazol-2-amine

4-methoxy-N-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]-1H-benzimidazol-2-amine (PubChem CID 59326854) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is 4-methoxy-N-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name4-methoxy-N-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]-1H-benzimidazol-2-amine
PubChem CID59326854
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC Name4-methoxy-N-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]-1H-benzimidazol-2-amine
SMILESCOc1cccc2[nH]c(Nc3ccc(Oc4ncccc4C4CCOCC4)cc3)nc12
InChIInChI=1S/C24H24N4O3/c1-29-21-6-2-5-20-22(21)28-24(27-20)26-17-7-9-18(10-8-17)31-23-19(4-3-13-25-23)16-11-14-30-15-12-16/h2-10,13,16H,11-12,14-15H2,1H3,(H2,26,27,28)
InChIKeyUUGNPCRGOSHPOJ-UHFFFAOYSA-N
XLogP5.40
TPSA81.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.48
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]-1H-benzimidazol-2-amine?
The IUPAC name of 4-methoxy-N-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]-1H-benzimidazol-2-amine (CID 59326854) is 4-methoxy-N-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]-1H-benzimidazol-2-amine.
What is the SMILES notation for 4-methoxy-N-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]-1H-benzimidazol-2-amine?
The canonical SMILES for 4-methoxy-N-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]-1H-benzimidazol-2-amine is COc1cccc2[nH]c(Nc3ccc(Oc4ncccc4C4CCOCC4)cc3)nc12.
What is the InChIKey of 4-methoxy-N-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]-1H-benzimidazol-2-amine?
The InChIKey is UUGNPCRGOSHPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-29-21-6-2-5-20-22(21)28-24(27-20)26-17-7-9-18(10-8-17)31-23-19(4-3-13-25-23)16-11-14-30-15-12-16/h2-10,13,16H,11-12,14-15H2,1H3,(H2,26,27,28).
What are the key properties of 4-methoxy-N-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]-1H-benzimidazol-2-amine?
4-methoxy-N-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]-1H-benzimidazol-2-amine has a molecular weight of 416.48 g/mol, XLogP of 5.40, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]-1H-benzimidazol-2-amine is sourced from PubChem (CID 59326854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).