1-ethoxy-N-[4-[3-(oxan-4-yl)pyrazin-2-yl]oxyphenyl]benzimidazol-2-amine

C24H25N5O3 — CID 66986367

IUPAC1-ethoxy-N-[4-[3-(oxan-4-yl)pyrazin-2-yl]oxyphenyl]benzimidazol-2-amine
SMILESCCOn1c(Nc2ccc(Oc3nccnc3C3CCOCC3)cc2)nc2ccccc21
InChIInChI=1S/C24H25N5O3/c1-2-31-29-21-6-4-3-5-20(21)28-24(29)27-18-7-9-19(10-8-18)32-23-22(25-13-14-26-23)17-11-15-30-16-12-17/h3-10,13-14,17H,2,11-12,15-16H2,1H3,(H,27,28)
InChIKeyAGHWLCGLIUOCFS-UHFFFAOYSA-N
MW431.50 g/mol
LogP4.70
Rot. Bonds7

About 1-ethoxy-N-[4-[3-(oxan-4-yl)pyrazin-2-yl]oxyphenyl]benzimidazol-2-amine

1-ethoxy-N-[4-[3-(oxan-4-yl)pyrazin-2-yl]oxyphenyl]benzimidazol-2-amine (PubChem CID 66986367) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is 1-ethoxy-N-[4-[3-(oxan-4-yl)pyrazin-2-yl]oxyphenyl]benzimidazol-2-amine.

Molecular Properties

Compound Name1-ethoxy-N-[4-[3-(oxan-4-yl)pyrazin-2-yl]oxyphenyl]benzimidazol-2-amine
PubChem CID66986367
Molecular FormulaC24H25N5O3
Molecular Weight431.50 g/mol
Exact Mass431.20
IUPAC Name1-ethoxy-N-[4-[3-(oxan-4-yl)pyrazin-2-yl]oxyphenyl]benzimidazol-2-amine
SMILESCCOn1c(Nc2ccc(Oc3nccnc3C3CCOCC3)cc2)nc2ccccc21
InChIInChI=1S/C24H25N5O3/c1-2-31-29-21-6-4-3-5-20(21)28-24(29)27-18-7-9-19(10-8-18)32-23-22(25-13-14-26-23)17-11-15-30-16-12-17/h3-10,13-14,17H,2,11-12,15-16H2,1H3,(H,27,28)
InChIKeyAGHWLCGLIUOCFS-UHFFFAOYSA-N
XLogP4.70
TPSA83.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-N-[4-[3-(oxan-4-yl)pyrazin-2-yl]oxyphenyl]benzimidazol-2-amine?
The IUPAC name of 1-ethoxy-N-[4-[3-(oxan-4-yl)pyrazin-2-yl]oxyphenyl]benzimidazol-2-amine (CID 66986367) is 1-ethoxy-N-[4-[3-(oxan-4-yl)pyrazin-2-yl]oxyphenyl]benzimidazol-2-amine.
What is the SMILES notation for 1-ethoxy-N-[4-[3-(oxan-4-yl)pyrazin-2-yl]oxyphenyl]benzimidazol-2-amine?
The canonical SMILES for 1-ethoxy-N-[4-[3-(oxan-4-yl)pyrazin-2-yl]oxyphenyl]benzimidazol-2-amine is CCOn1c(Nc2ccc(Oc3nccnc3C3CCOCC3)cc2)nc2ccccc21.
What is the InChIKey of 1-ethoxy-N-[4-[3-(oxan-4-yl)pyrazin-2-yl]oxyphenyl]benzimidazol-2-amine?
The InChIKey is AGHWLCGLIUOCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3/c1-2-31-29-21-6-4-3-5-20(21)28-24(29)27-18-7-9-19(10-8-18)32-23-22(25-13-14-26-23)17-11-15-30-16-12-17/h3-10,13-14,17H,2,11-12,15-16H2,1H3,(H,27,28).
What are the key properties of 1-ethoxy-N-[4-[3-(oxan-4-yl)pyrazin-2-yl]oxyphenyl]benzimidazol-2-amine?
1-ethoxy-N-[4-[3-(oxan-4-yl)pyrazin-2-yl]oxyphenyl]benzimidazol-2-amine has a molecular weight of 431.50 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-N-[4-[3-(oxan-4-yl)pyrazin-2-yl]oxyphenyl]benzimidazol-2-amine is sourced from PubChem (CID 66986367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).