4-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-2-quinolin-2-ylquinoline

C32H24N4O — CID 165377449

IUPAC4-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-2-quinolin-2-ylquinoline
SMILESCN1CN(c2cccc(Oc3cc(-c4ccc5ccccc5n4)nc4ccccc34)c2)c2ccccc21
InChIInChI=1S/C32H24N4O/c1-35-21-36(31-16-7-6-15-30(31)35)23-10-8-11-24(19-23)37-32-20-29(34-27-14-5-3-12-25(27)32)28-18-17-22-9-2-4-13-26(22)33-28/h2-20H,21H2,1H3
InChIKeyWKSXWPYDZIYMOJ-UHFFFAOYSA-N
MW480.57 g/mol
LogP7.79
Rot. Bonds4

About 4-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-2-quinolin-2-ylquinoline

4-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-2-quinolin-2-ylquinoline (PubChem CID 165377449) has the molecular formula C32H24N4O and a molecular weight of 480.57 g/mol. Its IUPAC name is 4-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-2-quinolin-2-ylquinoline.

Molecular Properties

Compound Name4-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-2-quinolin-2-ylquinoline
PubChem CID165377449
Molecular FormulaC32H24N4O
Molecular Weight480.57 g/mol
Exact Mass480.20
IUPAC Name4-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-2-quinolin-2-ylquinoline
SMILESCN1CN(c2cccc(Oc3cc(-c4ccc5ccccc5n4)nc4ccccc34)c2)c2ccccc21
InChIInChI=1S/C32H24N4O/c1-35-21-36(31-16-7-6-15-30(31)35)23-10-8-11-24(19-23)37-32-20-29(34-27-14-5-3-12-25(27)32)28-18-17-22-9-2-4-13-26(22)33-28/h2-20H,21H2,1H3
InChIKeyWKSXWPYDZIYMOJ-UHFFFAOYSA-N
XLogP7.79
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.57
LogP ≤ 57.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,6-diphenylphenyl)-3-[3-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]phenyl]-2H-benzo[e]benzimidazole
CID 164731879
1-methyl-3-[3-[3-(3,4,5-trimethyl-2H-imidazol-1-yl)phenoxy]phenyl]-2H-benzimidazole
CID 140729745
2-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-9-phenylcarbazole
CID 165154915
3-methyl-1-[3-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]phenyl]-2H-furo[2,3-d]imidazole
CID 140730371
1-methyl-3-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-2H-benzimidazole;osmium
CID 157121404
1-(2,6-diphenylphenyl)-3-[3-[3-(1-methyl-2H-imidazo[4,5-b]pyridin-3-yl)phenoxy]phenyl]-2H-benzo[e]benzimidazole
CID 164731594
9-[3-[[4-(3-methyl-2H-benzimidazol-1-yl)-2-pyridinyl]oxy]phenyl]pyrido[2,3-b]indole
CID 168848406
11-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-14-pyridin-2-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene
CID 170668607
8-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-5,5-diphenyl-[1]benzosilolo[3,2-b]pyridine
CID 162272328
4-[3-(1-methyl-2H-imidazo[4,5-b]pyridin-3-yl)phenoxy]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene
CID 140593854
[3-(3-methyl-2H-perimidin-1-yl)phenyl] benzoate
CID 102114756
1-[3-[3-[3-[4-[3-[3-[3-(5,6-dimethyl-3-pyridin-4-yl-2H-benzimidazol-1-yl)phenoxy]phenyl]-2H-benzimidazol-1-yl]phenyl]-2H-benzimidazol-1-yl]phenoxy]phenyl]-5,6-dimethyl-3-pyridin-4-yl-2H-benzimidazole
CID 166007130

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-2-quinolin-2-ylquinoline?
The IUPAC name of 4-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-2-quinolin-2-ylquinoline (CID 165377449) is 4-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-2-quinolin-2-ylquinoline.
What is the SMILES notation for 4-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-2-quinolin-2-ylquinoline?
The canonical SMILES for 4-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-2-quinolin-2-ylquinoline is CN1CN(c2cccc(Oc3cc(-c4ccc5ccccc5n4)nc4ccccc34)c2)c2ccccc21.
What is the InChIKey of 4-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-2-quinolin-2-ylquinoline?
The InChIKey is WKSXWPYDZIYMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24N4O/c1-35-21-36(31-16-7-6-15-30(31)35)23-10-8-11-24(19-23)37-32-20-29(34-27-14-5-3-12-25(27)32)28-18-17-22-9-2-4-13-26(22)33-28/h2-20H,21H2,1H3.
What are the key properties of 4-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-2-quinolin-2-ylquinoline?
4-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-2-quinolin-2-ylquinoline has a molecular weight of 480.57 g/mol, XLogP of 7.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-2-quinolin-2-ylquinoline is sourced from PubChem (CID 165377449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).