1-ethyl-6-fluoro-2-(4-pyrazin-2-yloxyphenyl)benzimidazole

C19H15FN4O — CID 138038624

IUPAC1-ethyl-6-fluoro-2-(4-pyrazin-2-yloxyphenyl)benzimidazole
SMILESCCn1c(-c2ccc(Oc3cnccn3)cc2)nc2ccc(F)cc21
InChIInChI=1S/C19H15FN4O/c1-2-24-17-11-14(20)5-8-16(17)23-19(24)13-3-6-15(7-4-13)25-18-12-21-9-10-22-18/h3-12H,2H2,1H3
InChIKeyCCWWNZJMFULHCR-UHFFFAOYSA-N
MW334.35 g/mol
LogP4.44
Rot. Bonds4

About 1-ethyl-6-fluoro-2-(4-pyrazin-2-yloxyphenyl)benzimidazole

1-ethyl-6-fluoro-2-(4-pyrazin-2-yloxyphenyl)benzimidazole (PubChem CID 138038624) has the molecular formula C19H15FN4O and a molecular weight of 334.35 g/mol. Its IUPAC name is 1-ethyl-6-fluoro-2-(4-pyrazin-2-yloxyphenyl)benzimidazole.

Molecular Properties

Compound Name1-ethyl-6-fluoro-2-(4-pyrazin-2-yloxyphenyl)benzimidazole
PubChem CID138038624
Molecular FormulaC19H15FN4O
Molecular Weight334.35 g/mol
Exact Mass334.12
IUPAC Name1-ethyl-6-fluoro-2-(4-pyrazin-2-yloxyphenyl)benzimidazole
SMILESCCn1c(-c2ccc(Oc3cnccn3)cc2)nc2ccc(F)cc21
InChIInChI=1S/C19H15FN4O/c1-2-24-17-11-14(20)5-8-16(17)23-19(24)13-3-6-15(7-4-13)25-18-12-21-9-10-22-18/h3-12H,2H2,1H3
InChIKeyCCWWNZJMFULHCR-UHFFFAOYSA-N
XLogP4.44
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1-ethyl-6-fluorobenzimidazol-2-yl)benzene-1,2-diol
CID 136885635
4-(1-ethyl-6-fluorobenzimidazol-2-yl)-2-fluoroaniline
CID 63187874
2-(4-pyrazin-2-yloxyphenoxy)pyrazine
CID 101444877
3-(1-ethyl-6-fluorobenzimidazol-2-yl)benzoic acid
CID 62924974
2-(4-phenylphenoxy)pyrazine
CID 518373
3-[3-butyl-2-[4-(3-fluorophenoxy)phenyl]benzimidazol-5-yl]oxy-N,N-diethylpropan-1-amine
CID 141074176
3-(1-ethyl-6-fluorobenzimidazol-2-yl)benzene-1,2-diol
CID 136928271
5-fluoro-N-(4-pyrazin-2-yloxyphenyl)-1,3-benzothiazol-2-amine
CID 59351231
2-[(2,4-difluorophenyl)methyl]-5-fluoro-3-(4-pyrazin-2-yloxyphenyl)isoquinolin-1-one
CID 10095719
[4-(1-ethyl-6-fluorobenzimidazol-2-yl)-1,3-thiazol-2-yl]methanamine
CID 66380869
5-(1-ethyl-5-fluorobenzimidazol-2-yl)-2-methoxyaniline
CID 63743435
2-(2-chloroethyl)-1-ethyl-6-fluorobenzimidazole
CID 62377536

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-fluoro-2-(4-pyrazin-2-yloxyphenyl)benzimidazole?
The IUPAC name of 1-ethyl-6-fluoro-2-(4-pyrazin-2-yloxyphenyl)benzimidazole (CID 138038624) is 1-ethyl-6-fluoro-2-(4-pyrazin-2-yloxyphenyl)benzimidazole.
What is the SMILES notation for 1-ethyl-6-fluoro-2-(4-pyrazin-2-yloxyphenyl)benzimidazole?
The canonical SMILES for 1-ethyl-6-fluoro-2-(4-pyrazin-2-yloxyphenyl)benzimidazole is CCn1c(-c2ccc(Oc3cnccn3)cc2)nc2ccc(F)cc21.
What is the InChIKey of 1-ethyl-6-fluoro-2-(4-pyrazin-2-yloxyphenyl)benzimidazole?
The InChIKey is CCWWNZJMFULHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O/c1-2-24-17-11-14(20)5-8-16(17)23-19(24)13-3-6-15(7-4-13)25-18-12-21-9-10-22-18/h3-12H,2H2,1H3.
What are the key properties of 1-ethyl-6-fluoro-2-(4-pyrazin-2-yloxyphenyl)benzimidazole?
1-ethyl-6-fluoro-2-(4-pyrazin-2-yloxyphenyl)benzimidazole has a molecular weight of 334.35 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-fluoro-2-(4-pyrazin-2-yloxyphenyl)benzimidazole is sourced from PubChem (CID 138038624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).