3-[1-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]imidazol-2-yl]phenol

C19H17FN4O — CID 22380020

IUPAC3-[1-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]imidazol-2-yl]phenol
SMILESCCn1c(Cn2ccnc2-c2cccc(O)c2)nc2cc(F)ccc21
InChIInChI=1S/C19H17FN4O/c1-2-24-17-7-6-14(20)11-16(17)22-18(24)12-23-9-8-21-19(23)13-4-3-5-15(25)10-13/h3-11,25H,2,12H2,1H3
InChIKeyXNTOFNYMYQVKCP-UHFFFAOYSA-N
MW336.37 g/mol
LogP3.81
Rot. Bonds4

About 3-[1-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]imidazol-2-yl]phenol

3-[1-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]imidazol-2-yl]phenol (PubChem CID 22380020) has the molecular formula C19H17FN4O and a molecular weight of 336.37 g/mol. Its IUPAC name is 3-[1-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]imidazol-2-yl]phenol.

Molecular Properties

Compound Name3-[1-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]imidazol-2-yl]phenol
PubChem CID22380020
Molecular FormulaC19H17FN4O
Molecular Weight336.37 g/mol
Exact Mass336.14
IUPAC Name3-[1-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]imidazol-2-yl]phenol
SMILESCCn1c(Cn2ccnc2-c2cccc(O)c2)nc2cc(F)ccc21
InChIInChI=1S/C19H17FN4O/c1-2-24-17-7-6-14(20)11-16(17)22-18(24)12-23-9-8-21-19(23)13-4-3-5-15(25)10-13/h3-11,25H,2,12H2,1H3
InChIKeyXNTOFNYMYQVKCP-UHFFFAOYSA-N
XLogP3.81
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]imidazol-2-yl]phenol?
The IUPAC name of 3-[1-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]imidazol-2-yl]phenol (CID 22380020) is 3-[1-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]imidazol-2-yl]phenol.
What is the SMILES notation for 3-[1-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]imidazol-2-yl]phenol?
The canonical SMILES for 3-[1-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]imidazol-2-yl]phenol is CCn1c(Cn2ccnc2-c2cccc(O)c2)nc2cc(F)ccc21.
What is the InChIKey of 3-[1-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]imidazol-2-yl]phenol?
The InChIKey is XNTOFNYMYQVKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O/c1-2-24-17-7-6-14(20)11-16(17)22-18(24)12-23-9-8-21-19(23)13-4-3-5-15(25)10-13/h3-11,25H,2,12H2,1H3.
What are the key properties of 3-[1-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]imidazol-2-yl]phenol?
3-[1-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]imidazol-2-yl]phenol has a molecular weight of 336.37 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]imidazol-2-yl]phenol is sourced from PubChem (CID 22380020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).