8-(1H-benzimidazol-2-ylmethoxy)quinoline;hydrate

C17H15N3O2 — CID 139086197

IUPAC8-(1H-benzimidazol-2-ylmethoxy)quinoline;hydrate
SMILESO.c1cnc2c(OCc3nc4ccccc4[nH]3)cccc2c1
InChIInChI=1S/C17H13N3O.H2O/c1-2-8-14-13(7-1)19-16(20-14)11-21-15-9-3-5-12-6-4-10-18-17(12)15;/h1-10H,11H2,(H,19,20);1H2
InChIKeyCSKIUCHFQBTFLG-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.87
Rot. Bonds3

About 8-(1H-benzimidazol-2-ylmethoxy)quinoline;hydrate

8-(1H-benzimidazol-2-ylmethoxy)quinoline;hydrate (PubChem CID 139086197) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 8-(1H-benzimidazol-2-ylmethoxy)quinoline;hydrate.

Molecular Properties

Compound Name8-(1H-benzimidazol-2-ylmethoxy)quinoline;hydrate
PubChem CID139086197
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name8-(1H-benzimidazol-2-ylmethoxy)quinoline;hydrate
SMILESO.c1cnc2c(OCc3nc4ccccc4[nH]3)cccc2c1
InChIInChI=1S/C17H13N3O.H2O/c1-2-8-14-13(7-1)19-16(20-14)11-21-15-9-3-5-12-6-4-10-18-17(12)15;/h1-10H,11H2,(H,19,20);1H2
InChIKeyCSKIUCHFQBTFLG-UHFFFAOYSA-N
XLogP2.87
TPSA82.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-[(2-chlorophenyl)methoxy]quinoline
CID 2110324
[2-(quinolin-8-yloxymethyl)phenyl]methanamine
CID 28824796
8-(chloromethoxy)quinoline
CID 79531226
[6-(quinolin-8-yloxymethyl)-2-pyridinyl]methanamine
CID 106908172
2-[(4-ethyl-2-fluorophenoxy)methyl]-1H-benzimidazole
CID 143712602
8-(6-chlorohexoxy)quinoline
CID 62228191
2-[(2,6-dimethoxyphenyl)methyl]-1H-benzimidazole
CID 139695649
8-[(2-chlorophenoxy)methyl]quinoline
CID 60705460
1H-benzimidazol-2-ylmethanamine;hydrate
CID 23192500
8-[(Dihydroxybismuthino)oxy]quinoline
CID 16684350
2-[7-(1H-benzimidazol-2-yl)heptyl]-1H-benzimidazole dichloride
CID 21205310
2-quinolin-8-yloxyethanamine
CID 17174906

Frequently Asked Questions

What is the IUPAC name of 8-(1H-benzimidazol-2-ylmethoxy)quinoline;hydrate?
The IUPAC name of 8-(1H-benzimidazol-2-ylmethoxy)quinoline;hydrate (CID 139086197) is 8-(1H-benzimidazol-2-ylmethoxy)quinoline;hydrate.
What is the SMILES notation for 8-(1H-benzimidazol-2-ylmethoxy)quinoline;hydrate?
The canonical SMILES for 8-(1H-benzimidazol-2-ylmethoxy)quinoline;hydrate is O.c1cnc2c(OCc3nc4ccccc4[nH]3)cccc2c1.
What is the InChIKey of 8-(1H-benzimidazol-2-ylmethoxy)quinoline;hydrate?
The InChIKey is CSKIUCHFQBTFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O.H2O/c1-2-8-14-13(7-1)19-16(20-14)11-21-15-9-3-5-12-6-4-10-18-17(12)15;/h1-10H,11H2,(H,19,20);1H2.
What are the key properties of 8-(1H-benzimidazol-2-ylmethoxy)quinoline;hydrate?
8-(1H-benzimidazol-2-ylmethoxy)quinoline;hydrate has a molecular weight of 293.33 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1H-benzimidazol-2-ylmethoxy)quinoline;hydrate is sourced from PubChem (CID 139086197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).