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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Related Compounds

N-[4-(3-cyclopentylpyrazin-2-yl)oxyphenyl]-1H-benzimidazol-2-amine
CID 58327651
4-[3-[4-(1,3-benzothiazol-2-ylamino)phenoxy]pyrazin-2-yl]cyclohexan-1-one
CID 89117486
1-[4-[3-[4-(1,3-benzothiazol-2-ylamino)phenoxy]pyrazin-2-yl]piperidin-1-yl]propane-1,2-diol
CID 90968858
N-[2-fluoro-4-[3-(oxan-4-yl)pyrazin-2-yl]oxyphenyl]-1,3-benzothiazol-2-amine
CID 59351278
(1-methylbenzimidazol-2-yl)-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]methanone
CID 59326816
4-[3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-yl]piperidine-1-carboxylic acid
CID 67425066
N-(4-ethoxyphenyl)-1-pentylbenzimidazol-2-amine
CID 4697797
4-methyl-2-[4-[3-(oxan-4-yl)pyrazin-2-yl]oxypiperidin-1-yl]quinoline
CID 58548052
[(3R)-3-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(oxan-4-yl)methanone
CID 95823111
N-[4-[[3-(4-ethylcyclohexyl)-2-pyridinyl]oxy]phenyl]-1,3-benzothiazol-2-amine
CID 143998397
1-[4-[3-[4-(1,3-benzothiazole-2-carbonyl)phenoxy]pyrazin-2-yl]piperidin-1-yl]ethanone
CID 70937996
1-[4-[3-(4-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95821913

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).