5-chloro-4-[3-[(3-fluorophenyl)methyl]benzimidazol-5-yl]-N-(1-pyrazin-2-ylpropan-2-yl)pyridin-2-amine

C26H22ClFN6 — CID 86299723

IUPAC5-chloro-4-[3-[(3-fluorophenyl)methyl]benzimidazol-5-yl]-N-(1-pyrazin-2-ylpropan-2-yl)pyridin-2-amine
SMILESCC(Cc1cnccn1)Nc1cc(-c2ccc3ncn(Cc4cccc(F)c4)c3c2)c(Cl)cn1
InChIInChI=1S/C26H22ClFN6/c1-17(9-21-13-29-7-8-30-21)33-26-12-22(23(27)14-31-26)19-5-6-24-25(11-19)34(16-32-24)15-18-3-2-4-20(28)10-18/h2-8,10-14,16-17H,9,15H2,1H3,(H,31,33)
InChIKeyMWHICBZOKRZNSV-UHFFFAOYSA-N
MW472.96 g/mol
LogP5.77
Rot. Bonds7

About 5-chloro-4-[3-[(3-fluorophenyl)methyl]benzimidazol-5-yl]-N-(1-pyrazin-2-ylpropan-2-yl)pyridin-2-amine

5-chloro-4-[3-[(3-fluorophenyl)methyl]benzimidazol-5-yl]-N-(1-pyrazin-2-ylpropan-2-yl)pyridin-2-amine (PubChem CID 86299723) has the molecular formula C26H22ClFN6 and a molecular weight of 472.96 g/mol. Its IUPAC name is 5-chloro-4-[3-[(3-fluorophenyl)methyl]benzimidazol-5-yl]-N-(1-pyrazin-2-ylpropan-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-4-[3-[(3-fluorophenyl)methyl]benzimidazol-5-yl]-N-(1-pyrazin-2-ylpropan-2-yl)pyridin-2-amine
PubChem CID86299723
Molecular FormulaC26H22ClFN6
Molecular Weight472.96 g/mol
Exact Mass472.16
IUPAC Name5-chloro-4-[3-[(3-fluorophenyl)methyl]benzimidazol-5-yl]-N-(1-pyrazin-2-ylpropan-2-yl)pyridin-2-amine
SMILESCC(Cc1cnccn1)Nc1cc(-c2ccc3ncn(Cc4cccc(F)c4)c3c2)c(Cl)cn1
InChIInChI=1S/C26H22ClFN6/c1-17(9-21-13-29-7-8-30-21)33-26-12-22(23(27)14-31-26)19-5-6-24-25(11-19)34(16-32-24)15-18-3-2-4-20(28)10-18/h2-8,10-14,16-17H,9,15H2,1H3,(H,31,33)
InChIKeyMWHICBZOKRZNSV-UHFFFAOYSA-N
XLogP5.77
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.96
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[3-[(3-fluorophenyl)methyl]benzimidazol-5-yl]-N-(1-pyrazin-2-ylpropan-2-yl)pyridin-2-amine?
The IUPAC name of 5-chloro-4-[3-[(3-fluorophenyl)methyl]benzimidazol-5-yl]-N-(1-pyrazin-2-ylpropan-2-yl)pyridin-2-amine (CID 86299723) is 5-chloro-4-[3-[(3-fluorophenyl)methyl]benzimidazol-5-yl]-N-(1-pyrazin-2-ylpropan-2-yl)pyridin-2-amine.
What is the SMILES notation for 5-chloro-4-[3-[(3-fluorophenyl)methyl]benzimidazol-5-yl]-N-(1-pyrazin-2-ylpropan-2-yl)pyridin-2-amine?
The canonical SMILES for 5-chloro-4-[3-[(3-fluorophenyl)methyl]benzimidazol-5-yl]-N-(1-pyrazin-2-ylpropan-2-yl)pyridin-2-amine is CC(Cc1cnccn1)Nc1cc(-c2ccc3ncn(Cc4cccc(F)c4)c3c2)c(Cl)cn1.
What is the InChIKey of 5-chloro-4-[3-[(3-fluorophenyl)methyl]benzimidazol-5-yl]-N-(1-pyrazin-2-ylpropan-2-yl)pyridin-2-amine?
The InChIKey is MWHICBZOKRZNSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClFN6/c1-17(9-21-13-29-7-8-30-21)33-26-12-22(23(27)14-31-26)19-5-6-24-25(11-19)34(16-32-24)15-18-3-2-4-20(28)10-18/h2-8,10-14,16-17H,9,15H2,1H3,(H,31,33).
What are the key properties of 5-chloro-4-[3-[(3-fluorophenyl)methyl]benzimidazol-5-yl]-N-(1-pyrazin-2-ylpropan-2-yl)pyridin-2-amine?
5-chloro-4-[3-[(3-fluorophenyl)methyl]benzimidazol-5-yl]-N-(1-pyrazin-2-ylpropan-2-yl)pyridin-2-amine has a molecular weight of 472.96 g/mol, XLogP of 5.77, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[3-[(3-fluorophenyl)methyl]benzimidazol-5-yl]-N-(1-pyrazin-2-ylpropan-2-yl)pyridin-2-amine is sourced from PubChem (CID 86299723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).