1-(4-ethoxyphenyl)-N-[(2-ethylpyrimidin-5-yl)methyl]benzimidazol-5-amine

C22H23N5O — CID 66794063

IUPAC1-(4-ethoxyphenyl)-N-[(2-ethylpyrimidin-5-yl)methyl]benzimidazol-5-amine
SMILESCCOc1ccc(-n2cnc3cc(NCc4cnc(CC)nc4)ccc32)cc1
InChIInChI=1S/C22H23N5O/c1-3-22-24-13-16(14-25-22)12-23-17-5-10-21-20(11-17)26-15-27(21)18-6-8-19(9-7-18)28-4-2/h5-11,13-15,23H,3-4,12H2,1-2H3
InChIKeyKTNDRHSUNAQAQJ-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.39
Rot. Bonds7

About 1-(4-ethoxyphenyl)-N-[(2-ethylpyrimidin-5-yl)methyl]benzimidazol-5-amine

1-(4-ethoxyphenyl)-N-[(2-ethylpyrimidin-5-yl)methyl]benzimidazol-5-amine (PubChem CID 66794063) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-N-[(2-ethylpyrimidin-5-yl)methyl]benzimidazol-5-amine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-N-[(2-ethylpyrimidin-5-yl)methyl]benzimidazol-5-amine
PubChem CID66794063
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name1-(4-ethoxyphenyl)-N-[(2-ethylpyrimidin-5-yl)methyl]benzimidazol-5-amine
SMILESCCOc1ccc(-n2cnc3cc(NCc4cnc(CC)nc4)ccc32)cc1
InChIInChI=1S/C22H23N5O/c1-3-22-24-13-16(14-25-22)12-23-17-5-10-21-20(11-17)26-15-27(21)18-6-8-19(9-7-18)28-4-2/h5-11,13-15,23H,3-4,12H2,1-2H3
InChIKeyKTNDRHSUNAQAQJ-UHFFFAOYSA-N
XLogP4.39
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-N-[(2-ethylpyrimidin-5-yl)methyl]benzimidazol-5-amine?
The IUPAC name of 1-(4-ethoxyphenyl)-N-[(2-ethylpyrimidin-5-yl)methyl]benzimidazol-5-amine (CID 66794063) is 1-(4-ethoxyphenyl)-N-[(2-ethylpyrimidin-5-yl)methyl]benzimidazol-5-amine.
What is the SMILES notation for 1-(4-ethoxyphenyl)-N-[(2-ethylpyrimidin-5-yl)methyl]benzimidazol-5-amine?
The canonical SMILES for 1-(4-ethoxyphenyl)-N-[(2-ethylpyrimidin-5-yl)methyl]benzimidazol-5-amine is CCOc1ccc(-n2cnc3cc(NCc4cnc(CC)nc4)ccc32)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-N-[(2-ethylpyrimidin-5-yl)methyl]benzimidazol-5-amine?
The InChIKey is KTNDRHSUNAQAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-3-22-24-13-16(14-25-22)12-23-17-5-10-21-20(11-17)26-15-27(21)18-6-8-19(9-7-18)28-4-2/h5-11,13-15,23H,3-4,12H2,1-2H3.
What are the key properties of 1-(4-ethoxyphenyl)-N-[(2-ethylpyrimidin-5-yl)methyl]benzimidazol-5-amine?
1-(4-ethoxyphenyl)-N-[(2-ethylpyrimidin-5-yl)methyl]benzimidazol-5-amine has a molecular weight of 373.46 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-N-[(2-ethylpyrimidin-5-yl)methyl]benzimidazol-5-amine is sourced from PubChem (CID 66794063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).