5-(4-fluorophenyl)-3-[1-(2-methoxyethyl)benzimidazol-2-yl]pyrazin-2-amine

C20H18FN5O — CID 44532967

IUPAC5-(4-fluorophenyl)-3-[1-(2-methoxyethyl)benzimidazol-2-yl]pyrazin-2-amine
SMILESCOCCn1c(-c2nc(-c3ccc(F)cc3)cnc2N)nc2ccccc21
InChIInChI=1S/C20H18FN5O/c1-27-11-10-26-17-5-3-2-4-15(17)25-20(26)18-19(22)23-12-16(24-18)13-6-8-14(21)9-7-13/h2-9,12H,10-11H2,1H3,(H2,22,23)
InChIKeyNVMLQLIGFOFKAH-UHFFFAOYSA-N
MW363.40 g/mol
LogP3.53
Rot. Bonds5

About 5-(4-fluorophenyl)-3-[1-(2-methoxyethyl)benzimidazol-2-yl]pyrazin-2-amine

5-(4-fluorophenyl)-3-[1-(2-methoxyethyl)benzimidazol-2-yl]pyrazin-2-amine (PubChem CID 44532967) has the molecular formula C20H18FN5O and a molecular weight of 363.40 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3-[1-(2-methoxyethyl)benzimidazol-2-yl]pyrazin-2-amine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3-[1-(2-methoxyethyl)benzimidazol-2-yl]pyrazin-2-amine
PubChem CID44532967
Molecular FormulaC20H18FN5O
Molecular Weight363.40 g/mol
Exact Mass363.15
IUPAC Name5-(4-fluorophenyl)-3-[1-(2-methoxyethyl)benzimidazol-2-yl]pyrazin-2-amine
SMILESCOCCn1c(-c2nc(-c3ccc(F)cc3)cnc2N)nc2ccccc21
InChIInChI=1S/C20H18FN5O/c1-27-11-10-26-17-5-3-2-4-15(17)25-20(26)18-19(22)23-12-16(24-18)13-6-8-14(21)9-7-13/h2-9,12H,10-11H2,1H3,(H2,22,23)
InChIKeyNVMLQLIGFOFKAH-UHFFFAOYSA-N
XLogP3.53
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-3-[1-(2-methoxyethyl)benzimidazol-2-yl]pyrazin-2-amine?
The IUPAC name of 5-(4-fluorophenyl)-3-[1-(2-methoxyethyl)benzimidazol-2-yl]pyrazin-2-amine (CID 44532967) is 5-(4-fluorophenyl)-3-[1-(2-methoxyethyl)benzimidazol-2-yl]pyrazin-2-amine.
What is the SMILES notation for 5-(4-fluorophenyl)-3-[1-(2-methoxyethyl)benzimidazol-2-yl]pyrazin-2-amine?
The canonical SMILES for 5-(4-fluorophenyl)-3-[1-(2-methoxyethyl)benzimidazol-2-yl]pyrazin-2-amine is COCCn1c(-c2nc(-c3ccc(F)cc3)cnc2N)nc2ccccc21.
What is the InChIKey of 5-(4-fluorophenyl)-3-[1-(2-methoxyethyl)benzimidazol-2-yl]pyrazin-2-amine?
The InChIKey is NVMLQLIGFOFKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O/c1-27-11-10-26-17-5-3-2-4-15(17)25-20(26)18-19(22)23-12-16(24-18)13-6-8-14(21)9-7-13/h2-9,12H,10-11H2,1H3,(H2,22,23).
What are the key properties of 5-(4-fluorophenyl)-3-[1-(2-methoxyethyl)benzimidazol-2-yl]pyrazin-2-amine?
5-(4-fluorophenyl)-3-[1-(2-methoxyethyl)benzimidazol-2-yl]pyrazin-2-amine has a molecular weight of 363.40 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-3-[1-(2-methoxyethyl)benzimidazol-2-yl]pyrazin-2-amine is sourced from PubChem (CID 44532967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).