1-ethyl-5-fluoro-2-[(2-phenylimidazol-1-yl)methyl]benzimidazole

C19H17FN4 — CID 91256666

IUPAC1-ethyl-5-fluoro-2-[(2-phenylimidazol-1-yl)methyl]benzimidazole
SMILESCCn1c(Cn2ccnc2-c2ccccc2)nc2cc(F)ccc21
InChIInChI=1S/C19H17FN4/c1-2-24-17-9-8-15(20)12-16(17)22-18(24)13-23-11-10-21-19(23)14-6-4-3-5-7-14/h3-12H,2,13H2,1H3
InChIKeyPBCUTNCOYOGFEW-UHFFFAOYSA-N
MW320.37 g/mol
LogP4.11
Rot. Bonds4

About 1-ethyl-5-fluoro-2-[(2-phenylimidazol-1-yl)methyl]benzimidazole

1-ethyl-5-fluoro-2-[(2-phenylimidazol-1-yl)methyl]benzimidazole (PubChem CID 91256666) has the molecular formula C19H17FN4 and a molecular weight of 320.37 g/mol. Its IUPAC name is 1-ethyl-5-fluoro-2-[(2-phenylimidazol-1-yl)methyl]benzimidazole.

Molecular Properties

Compound Name1-ethyl-5-fluoro-2-[(2-phenylimidazol-1-yl)methyl]benzimidazole
PubChem CID91256666
Molecular FormulaC19H17FN4
Molecular Weight320.37 g/mol
Exact Mass320.14
IUPAC Name1-ethyl-5-fluoro-2-[(2-phenylimidazol-1-yl)methyl]benzimidazole
SMILESCCn1c(Cn2ccnc2-c2ccccc2)nc2cc(F)ccc21
InChIInChI=1S/C19H17FN4/c1-2-24-17-9-8-15(20)12-16(17)22-18(24)13-23-11-10-21-19(23)14-6-4-3-5-7-14/h3-12H,2,13H2,1H3
InChIKeyPBCUTNCOYOGFEW-UHFFFAOYSA-N
XLogP4.11
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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2-amino-1-((4-fluorophenyl)methyl)-1H-benzimidazole
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CID 9863520

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-fluoro-2-[(2-phenylimidazol-1-yl)methyl]benzimidazole?
The IUPAC name of 1-ethyl-5-fluoro-2-[(2-phenylimidazol-1-yl)methyl]benzimidazole (CID 91256666) is 1-ethyl-5-fluoro-2-[(2-phenylimidazol-1-yl)methyl]benzimidazole.
What is the SMILES notation for 1-ethyl-5-fluoro-2-[(2-phenylimidazol-1-yl)methyl]benzimidazole?
The canonical SMILES for 1-ethyl-5-fluoro-2-[(2-phenylimidazol-1-yl)methyl]benzimidazole is CCn1c(Cn2ccnc2-c2ccccc2)nc2cc(F)ccc21.
What is the InChIKey of 1-ethyl-5-fluoro-2-[(2-phenylimidazol-1-yl)methyl]benzimidazole?
The InChIKey is PBCUTNCOYOGFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4/c1-2-24-17-9-8-15(20)12-16(17)22-18(24)13-23-11-10-21-19(23)14-6-4-3-5-7-14/h3-12H,2,13H2,1H3.
What are the key properties of 1-ethyl-5-fluoro-2-[(2-phenylimidazol-1-yl)methyl]benzimidazole?
1-ethyl-5-fluoro-2-[(2-phenylimidazol-1-yl)methyl]benzimidazole has a molecular weight of 320.37 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-fluoro-2-[(2-phenylimidazol-1-yl)methyl]benzimidazole is sourced from PubChem (CID 91256666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).