6-[3-(1-methylbenzimidazol-2-yl)propoxy]quinoline

C20H19N3O — CID 24946061

IUPAC6-[3-(1-methylbenzimidazol-2-yl)propoxy]quinoline
SMILESCn1c(CCCOc2ccc3ncccc3c2)nc2ccccc21
InChIInChI=1S/C20H19N3O/c1-23-19-8-3-2-7-18(19)22-20(23)9-5-13-24-16-10-11-17-15(14-16)6-4-12-21-17/h2-4,6-8,10-12,14H,5,9,13H2,1H3
InChIKeyUVTLAKCVGDGXKF-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.13
Rot. Bonds5

About 6-[3-(1-methylbenzimidazol-2-yl)propoxy]quinoline

6-[3-(1-methylbenzimidazol-2-yl)propoxy]quinoline (PubChem CID 24946061) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is 6-[3-(1-methylbenzimidazol-2-yl)propoxy]quinoline.

Molecular Properties

Compound Name6-[3-(1-methylbenzimidazol-2-yl)propoxy]quinoline
PubChem CID24946061
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name6-[3-(1-methylbenzimidazol-2-yl)propoxy]quinoline
SMILESCn1c(CCCOc2ccc3ncccc3c2)nc2ccccc21
InChIInChI=1S/C20H19N3O/c1-23-19-8-3-2-7-18(19)22-20(23)9-5-13-24-16-10-11-17-15(14-16)6-4-12-21-17/h2-4,6-8,10-12,14H,5,9,13H2,1H3
InChIKeyUVTLAKCVGDGXKF-UHFFFAOYSA-N
XLogP4.13
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-methyl-2-[4-(1-methylbenzimidazol-2-yl)butyl]benzimidazole
CID 171320881
6-tridecoxyquinoline
CID 174908858
2-(4-chlorobutyl)-1-methylbenzimidazole
CID 43142612
2-[3-(4-methoxyphenyl)propyl]-1-methylbenzimidazole
CID 11737586
N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrimidin-2-amine
CID 71983544
3-(1-methylbenzimidazol-2-yl)propan-1-ol
CID 4585215
3-[3-(1-methylbenzimidazol-2-yl)propoxy]propanenitrile
CID 3160820
1-(3-quinolin-6-yloxypropyl)pyrrolidin-2-one
CID 94696788
6-prop-2-enoxyquinoline
CID 21107330
3-(1-methylbenzimidazol-2-yl)-N-(pyridin-2-ylmethyl)propan-1-amine
CID 83962036
2-[(4-methoxyphenyl)methyl]-1-(3-naphthalen-2-yloxypropyl)benzimidazole
CID 18879090
2-(1-methylbenzimidazol-2-yl)ethanamine;dihydrochloride
CID 45075160

Frequently Asked Questions

What is the IUPAC name of 6-[3-(1-methylbenzimidazol-2-yl)propoxy]quinoline?
The IUPAC name of 6-[3-(1-methylbenzimidazol-2-yl)propoxy]quinoline (CID 24946061) is 6-[3-(1-methylbenzimidazol-2-yl)propoxy]quinoline.
What is the SMILES notation for 6-[3-(1-methylbenzimidazol-2-yl)propoxy]quinoline?
The canonical SMILES for 6-[3-(1-methylbenzimidazol-2-yl)propoxy]quinoline is Cn1c(CCCOc2ccc3ncccc3c2)nc2ccccc21.
What is the InChIKey of 6-[3-(1-methylbenzimidazol-2-yl)propoxy]quinoline?
The InChIKey is UVTLAKCVGDGXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c1-23-19-8-3-2-7-18(19)22-20(23)9-5-13-24-16-10-11-17-15(14-16)6-4-12-21-17/h2-4,6-8,10-12,14H,5,9,13H2,1H3.
What are the key properties of 6-[3-(1-methylbenzimidazol-2-yl)propoxy]quinoline?
6-[3-(1-methylbenzimidazol-2-yl)propoxy]quinoline has a molecular weight of 317.39 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(1-methylbenzimidazol-2-yl)propoxy]quinoline is sourced from PubChem (CID 24946061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).