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

C23H22N4O2 — CID 59326822

IUPACN-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]-1H-benzimidazol-2-amine
SMILESc1cnc(Oc2ccc(Nc3nc4ccccc4[nH]3)cc2)c(C2CCOCC2)c1
InChIInChI=1S/C23H22N4O2/c1-2-6-21-20(5-1)26-23(27-21)25-17-7-9-18(10-8-17)29-22-19(4-3-13-24-22)16-11-14-28-15-12-16/h1-10,13,16H,11-12,14-15H2,(H2,25,26,27)
InChIKeyYSLAFYVBQHFKGE-UHFFFAOYSA-N
MW386.46 g/mol
LogP5.39
Rot. Bonds5

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

N-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]-1H-benzimidazol-2-amine (PubChem CID 59326822) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is N-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]-1H-benzimidazol-2-amine
PubChem CID59326822
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC NameN-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]-1H-benzimidazol-2-amine
SMILESc1cnc(Oc2ccc(Nc3nc4ccccc4[nH]3)cc2)c(C2CCOCC2)c1
InChIInChI=1S/C23H22N4O2/c1-2-6-21-20(5-1)26-23(27-21)25-17-7-9-18(10-8-17)29-22-19(4-3-13-24-22)16-11-14-28-15-12-16/h1-10,13,16H,11-12,14-15H2,(H2,25,26,27)
InChIKeyYSLAFYVBQHFKGE-UHFFFAOYSA-N
XLogP5.39
TPSA72.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.46
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]-1H-benzimidazol-2-amine?
The IUPAC name of N-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]-1H-benzimidazol-2-amine (CID 59326822) is N-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]-1H-benzimidazol-2-amine.
What is the SMILES notation for N-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]-1H-benzimidazol-2-amine?
The canonical SMILES for N-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]-1H-benzimidazol-2-amine is c1cnc(Oc2ccc(Nc3nc4ccccc4[nH]3)cc2)c(C2CCOCC2)c1.
What is the InChIKey of N-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]-1H-benzimidazol-2-amine?
The InChIKey is YSLAFYVBQHFKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-2-6-21-20(5-1)26-23(27-21)25-17-7-9-18(10-8-17)29-22-19(4-3-13-24-22)16-11-14-28-15-12-16/h1-10,13,16H,11-12,14-15H2,(H2,25,26,27).
What are the key properties of N-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]-1H-benzimidazol-2-amine?
N-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]-1H-benzimidazol-2-amine has a molecular weight of 386.46 g/mol, XLogP of 5.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]-1H-benzimidazol-2-amine is sourced from PubChem (CID 59326822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).