4-(1H-benzimidazol-2-ylmethoxy)-6-methoxy-2-methylquinoline

C19H17N3O2 — CID 155924063

IUPAC4-(1H-benzimidazol-2-ylmethoxy)-6-methoxy-2-methylquinoline
SMILESCOc1ccc2nc(C)cc(OCc3nc4ccccc4[nH]3)c2c1
InChIInChI=1S/C19H17N3O2/c1-12-9-18(14-10-13(23-2)7-8-15(14)20-12)24-11-19-21-16-5-3-4-6-17(16)22-19/h3-10H,11H2,1-2H3,(H,21,22)
InChIKeyJOQYBKLAQUKXBF-UHFFFAOYSA-N
MW319.36 g/mol
LogP4.01
Rot. Bonds4

About 4-(1H-benzimidazol-2-ylmethoxy)-6-methoxy-2-methylquinoline

4-(1H-benzimidazol-2-ylmethoxy)-6-methoxy-2-methylquinoline (PubChem CID 155924063) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-ylmethoxy)-6-methoxy-2-methylquinoline.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-ylmethoxy)-6-methoxy-2-methylquinoline
PubChem CID155924063
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name4-(1H-benzimidazol-2-ylmethoxy)-6-methoxy-2-methylquinoline
SMILESCOc1ccc2nc(C)cc(OCc3nc4ccccc4[nH]3)c2c1
InChIInChI=1S/C19H17N3O2/c1-12-9-18(14-10-13(23-2)7-8-15(14)20-12)24-11-19-21-16-5-3-4-6-17(16)22-19/h3-10H,11H2,1-2H3,(H,21,22)
InChIKeyJOQYBKLAQUKXBF-UHFFFAOYSA-N
XLogP4.01
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-ylmethoxy)-6-methoxy-2-methylquinoline?
The IUPAC name of 4-(1H-benzimidazol-2-ylmethoxy)-6-methoxy-2-methylquinoline (CID 155924063) is 4-(1H-benzimidazol-2-ylmethoxy)-6-methoxy-2-methylquinoline.
What is the SMILES notation for 4-(1H-benzimidazol-2-ylmethoxy)-6-methoxy-2-methylquinoline?
The canonical SMILES for 4-(1H-benzimidazol-2-ylmethoxy)-6-methoxy-2-methylquinoline is COc1ccc2nc(C)cc(OCc3nc4ccccc4[nH]3)c2c1.
What is the InChIKey of 4-(1H-benzimidazol-2-ylmethoxy)-6-methoxy-2-methylquinoline?
The InChIKey is JOQYBKLAQUKXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-12-9-18(14-10-13(23-2)7-8-15(14)20-12)24-11-19-21-16-5-3-4-6-17(16)22-19/h3-10H,11H2,1-2H3,(H,21,22).
What are the key properties of 4-(1H-benzimidazol-2-ylmethoxy)-6-methoxy-2-methylquinoline?
4-(1H-benzimidazol-2-ylmethoxy)-6-methoxy-2-methylquinoline has a molecular weight of 319.36 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-ylmethoxy)-6-methoxy-2-methylquinoline is sourced from PubChem (CID 155924063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).