6-fluoro-2-[2-(2-imidazol-1-ylethoxy)-3-methoxyphenyl]-1H-benzimidazole

C19H17FN4O2 — CID 46983411

IUPAC6-fluoro-2-[2-(2-imidazol-1-ylethoxy)-3-methoxyphenyl]-1H-benzimidazole
SMILESCOc1cccc(-c2nc3ccc(F)cc3[nH]2)c1OCCn1ccnc1
InChIInChI=1S/C19H17FN4O2/c1-25-17-4-2-3-14(18(17)26-10-9-24-8-7-21-12-24)19-22-15-6-5-13(20)11-16(15)23-19/h2-8,11-12H,9-10H2,1H3,(H,22,23)
InChIKeyRMAVXCQECDIMOM-UHFFFAOYSA-N
MW352.37 g/mol
LogP3.65
Rot. Bonds6

About 6-fluoro-2-[2-(2-imidazol-1-ylethoxy)-3-methoxyphenyl]-1H-benzimidazole

6-fluoro-2-[2-(2-imidazol-1-ylethoxy)-3-methoxyphenyl]-1H-benzimidazole (PubChem CID 46983411) has the molecular formula C19H17FN4O2 and a molecular weight of 352.37 g/mol. Its IUPAC name is 6-fluoro-2-[2-(2-imidazol-1-ylethoxy)-3-methoxyphenyl]-1H-benzimidazole.

Molecular Properties

Compound Name6-fluoro-2-[2-(2-imidazol-1-ylethoxy)-3-methoxyphenyl]-1H-benzimidazole
PubChem CID46983411
Molecular FormulaC19H17FN4O2
Molecular Weight352.37 g/mol
Exact Mass352.13
IUPAC Name6-fluoro-2-[2-(2-imidazol-1-ylethoxy)-3-methoxyphenyl]-1H-benzimidazole
SMILESCOc1cccc(-c2nc3ccc(F)cc3[nH]2)c1OCCn1ccnc1
InChIInChI=1S/C19H17FN4O2/c1-25-17-4-2-3-14(18(17)26-10-9-24-8-7-21-12-24)19-22-15-6-5-13(20)11-16(15)23-19/h2-8,11-12H,9-10H2,1H3,(H,22,23)
InChIKeyRMAVXCQECDIMOM-UHFFFAOYSA-N
XLogP3.65
TPSA64.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-fluoro-2-[2-(2-imidazol-1-ylethoxy)-3-methoxyphenyl]-1H-benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[2-(2-imidazol-1-ylethoxy)-3-methoxyphenyl]-1H-benzimidazole?
The IUPAC name of 6-fluoro-2-[2-(2-imidazol-1-ylethoxy)-3-methoxyphenyl]-1H-benzimidazole (CID 46983411) is 6-fluoro-2-[2-(2-imidazol-1-ylethoxy)-3-methoxyphenyl]-1H-benzimidazole.
What is the SMILES notation for 6-fluoro-2-[2-(2-imidazol-1-ylethoxy)-3-methoxyphenyl]-1H-benzimidazole?
The canonical SMILES for 6-fluoro-2-[2-(2-imidazol-1-ylethoxy)-3-methoxyphenyl]-1H-benzimidazole is COc1cccc(-c2nc3ccc(F)cc3[nH]2)c1OCCn1ccnc1.
What is the InChIKey of 6-fluoro-2-[2-(2-imidazol-1-ylethoxy)-3-methoxyphenyl]-1H-benzimidazole?
The InChIKey is RMAVXCQECDIMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O2/c1-25-17-4-2-3-14(18(17)26-10-9-24-8-7-21-12-24)19-22-15-6-5-13(20)11-16(15)23-19/h2-8,11-12H,9-10H2,1H3,(H,22,23).
What are the key properties of 6-fluoro-2-[2-(2-imidazol-1-ylethoxy)-3-methoxyphenyl]-1H-benzimidazole?
6-fluoro-2-[2-(2-imidazol-1-ylethoxy)-3-methoxyphenyl]-1H-benzimidazole has a molecular weight of 352.37 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[2-(2-imidazol-1-ylethoxy)-3-methoxyphenyl]-1H-benzimidazole is sourced from PubChem (CID 46983411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).