1-cyclopropyl-2-(diethoxymethyl)-5-fluorobenzimidazole

C15H19FN2O2 — CID 63770973

IUPAC1-cyclopropyl-2-(diethoxymethyl)-5-fluorobenzimidazole
SMILESCCOC(OCC)c1nc2cc(F)ccc2n1C1CC1
InChIInChI=1S/C15H19FN2O2/c1-3-19-15(20-4-2)14-17-12-9-10(16)5-8-13(12)18(14)11-6-7-11/h5,8-9,11,15H,3-4,6-7H2,1-2H3
InChIKeyDBCCFTCUVKYTMK-UHFFFAOYSA-N
MW278.33 g/mol
LogP3.58
Rot. Bonds6

About 1-cyclopropyl-2-(diethoxymethyl)-5-fluorobenzimidazole

1-cyclopropyl-2-(diethoxymethyl)-5-fluorobenzimidazole (PubChem CID 63770973) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is 1-cyclopropyl-2-(diethoxymethyl)-5-fluorobenzimidazole.

Molecular Properties

Compound Name1-cyclopropyl-2-(diethoxymethyl)-5-fluorobenzimidazole
PubChem CID63770973
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Name1-cyclopropyl-2-(diethoxymethyl)-5-fluorobenzimidazole
SMILESCCOC(OCC)c1nc2cc(F)ccc2n1C1CC1
InChIInChI=1S/C15H19FN2O2/c1-3-19-15(20-4-2)14-17-12-9-10(16)5-8-13(12)18(14)11-6-7-11/h5,8-9,11,15H,3-4,6-7H2,1-2H3
InChIKeyDBCCFTCUVKYTMK-UHFFFAOYSA-N
XLogP3.58
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-cyclopropyl-2-(diethoxymethyl)-6-fluorobenzimidazole
CID 63772330
1-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-2-methylpropan-1-amine
CID 60784858
2-(diethoxymethyl)-6-fluoro-1-propan-2-ylbenzimidazole
CID 63772180
7-chloro-1-cyclopropyl-2-(diethoxymethyl)benzimidazole
CID 63770797
2-(diethoxymethyl)-6-fluoro-1-propylbenzimidazole
CID 63772335
ethyl 1-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)cyclopropane-1-carboxylate
CID 79480035
5-fluoro-1-(4-propylcyclohexyl)benzimidazol-2-amine
CID 63546950
1-cyclobutyl-5-fluoro-2-methylbenzimidazole
CID 139518340
1-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pentan-1-amine
CID 62376750
2-(chloromethyl)-1-cyclopentyl-5-fluorobenzimidazole
CID 43660216
2-(1-chloroethyl)-1-(2-ethoxypropyl)-5-fluorobenzimidazole
CID 113477854
2-ethoxy-5-fluoro-1-[1-(piperidin-4-ylmethyl)piperidin-4-yl]benzimidazole
CID 59360903

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(diethoxymethyl)-5-fluorobenzimidazole?
The IUPAC name of 1-cyclopropyl-2-(diethoxymethyl)-5-fluorobenzimidazole (CID 63770973) is 1-cyclopropyl-2-(diethoxymethyl)-5-fluorobenzimidazole.
What is the SMILES notation for 1-cyclopropyl-2-(diethoxymethyl)-5-fluorobenzimidazole?
The canonical SMILES for 1-cyclopropyl-2-(diethoxymethyl)-5-fluorobenzimidazole is CCOC(OCC)c1nc2cc(F)ccc2n1C1CC1.
What is the InChIKey of 1-cyclopropyl-2-(diethoxymethyl)-5-fluorobenzimidazole?
The InChIKey is DBCCFTCUVKYTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c1-3-19-15(20-4-2)14-17-12-9-10(16)5-8-13(12)18(14)11-6-7-11/h5,8-9,11,15H,3-4,6-7H2,1-2H3.
What are the key properties of 1-cyclopropyl-2-(diethoxymethyl)-5-fluorobenzimidazole?
1-cyclopropyl-2-(diethoxymethyl)-5-fluorobenzimidazole has a molecular weight of 278.33 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(diethoxymethyl)-5-fluorobenzimidazole is sourced from PubChem (CID 63770973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).