7-[[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]methoxy]quinoline

C24H19N3O2 — CID 168554862

IUPAC7-[[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]methoxy]quinoline
SMILESCOc1ccc(-c2nc3ccccc3[nH]2)cc1COc1ccc2cccnc2c1
InChIInChI=1S/C24H19N3O2/c1-28-23-11-9-17(24-26-20-6-2-3-7-21(20)27-24)13-18(23)15-29-19-10-8-16-5-4-12-25-22(16)14-19/h2-14H,15H2,1H3,(H,26,27)
InChIKeyNJSULNOICNYTBT-UHFFFAOYSA-N
MW381.44 g/mol
LogP5.37
Rot. Bonds5

About 7-[[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]methoxy]quinoline

7-[[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]methoxy]quinoline (PubChem CID 168554862) has the molecular formula C24H19N3O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is 7-[[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]methoxy]quinoline.

Molecular Properties

Compound Name7-[[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]methoxy]quinoline
PubChem CID168554862
Molecular FormulaC24H19N3O2
Molecular Weight381.44 g/mol
Exact Mass381.15
IUPAC Name7-[[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]methoxy]quinoline
SMILESCOc1ccc(-c2nc3ccccc3[nH]2)cc1COc1ccc2cccnc2c1
InChIInChI=1S/C24H19N3O2/c1-28-23-11-9-17(24-26-20-6-2-3-7-21(20)27-24)13-18(23)15-29-19-10-8-16-5-4-12-25-22(16)14-19/h2-14H,15H2,1H3,(H,26,27)
InChIKeyNJSULNOICNYTBT-UHFFFAOYSA-N
XLogP5.37
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.44
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]-1H-benzimidazole
CID 168554144
2-[3-[(3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]-1H-benzimidazole
CID 168555101
2-[3-[(2-bromophenoxy)methyl]-4-methoxyphenyl]-1H-benzimidazole
CID 168554164
2-[3-[(4-chloro-2-methylphenoxy)methyl]-4-methoxyphenyl]-1H-benzimidazole
CID 168554121
2-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]-3H-quinazolin-4-one
CID 168551574
2-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-1H-benzimidazole
CID 19224116
2-(6-methoxynaphthalen-2-yl)-1H-benzimidazole
CID 56925290
4-[[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]methyl]-3,5-dimethyl-1,2-oxazole
CID 168554839
2-[3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl]-3H-quinazolin-4-one
CID 168551388
2-(4-methoxy-3-propoxyphenyl)-1H-benzimidazole
CID 110539403
4-[[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]methyl]thiomorpholine
CID 168554741
2-(4-hexoxy-3-methoxyphenyl)-1H-benzimidazole
CID 19224099

Frequently Asked Questions

What is the IUPAC name of 7-[[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]methoxy]quinoline?
The IUPAC name of 7-[[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]methoxy]quinoline (CID 168554862) is 7-[[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]methoxy]quinoline.
What is the SMILES notation for 7-[[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]methoxy]quinoline?
The canonical SMILES for 7-[[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]methoxy]quinoline is COc1ccc(-c2nc3ccccc3[nH]2)cc1COc1ccc2cccnc2c1.
What is the InChIKey of 7-[[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]methoxy]quinoline?
The InChIKey is NJSULNOICNYTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O2/c1-28-23-11-9-17(24-26-20-6-2-3-7-21(20)27-24)13-18(23)15-29-19-10-8-16-5-4-12-25-22(16)14-19/h2-14H,15H2,1H3,(H,26,27).
What are the key properties of 7-[[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]methoxy]quinoline?
7-[[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]methoxy]quinoline has a molecular weight of 381.44 g/mol, XLogP of 5.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]methoxy]quinoline is sourced from PubChem (CID 168554862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).