1-[3-(2,3-diamino-4-pyridinyl)-2-ethylphenyl]-3-(4-methylphenyl)imidazol-2-one

C23H23N5O — CID 121261527

IUPAC1-[3-(2,3-diamino-4-pyridinyl)-2-ethylphenyl]-3-(4-methylphenyl)imidazol-2-one
SMILESCCc1c(-c2ccnc(N)c2N)cccc1-n1ccn(-c2ccc(C)cc2)c1=O
InChIInChI=1S/C23H23N5O/c1-3-17-18(19-11-12-26-22(25)21(19)24)5-4-6-20(17)28-14-13-27(23(28)29)16-9-7-15(2)8-10-16/h4-14H,3,24H2,1-2H3,(H2,25,26)
InChIKeyIGYCFCNVHCCVHB-UHFFFAOYSA-N
MW385.47 g/mol
LogP3.73
Rot. Bonds4

About 1-[3-(2,3-diamino-4-pyridinyl)-2-ethylphenyl]-3-(4-methylphenyl)imidazol-2-one

1-[3-(2,3-diamino-4-pyridinyl)-2-ethylphenyl]-3-(4-methylphenyl)imidazol-2-one (PubChem CID 121261527) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is 1-[3-(2,3-diamino-4-pyridinyl)-2-ethylphenyl]-3-(4-methylphenyl)imidazol-2-one.

Molecular Properties

Compound Name1-[3-(2,3-diamino-4-pyridinyl)-2-ethylphenyl]-3-(4-methylphenyl)imidazol-2-one
PubChem CID121261527
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC Name1-[3-(2,3-diamino-4-pyridinyl)-2-ethylphenyl]-3-(4-methylphenyl)imidazol-2-one
SMILESCCc1c(-c2ccnc(N)c2N)cccc1-n1ccn(-c2ccc(C)cc2)c1=O
InChIInChI=1S/C23H23N5O/c1-3-17-18(19-11-12-26-22(25)21(19)24)5-4-6-20(17)28-14-13-27(23(28)29)16-9-7-15(2)8-10-16/h4-14H,3,24H2,1-2H3,(H2,25,26)
InChIKeyIGYCFCNVHCCVHB-UHFFFAOYSA-N
XLogP3.73
TPSA91.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,3-diamino-4-pyridinyl)-2-ethylphenyl]-3-(4-methylphenyl)imidazol-2-one?
The IUPAC name of 1-[3-(2,3-diamino-4-pyridinyl)-2-ethylphenyl]-3-(4-methylphenyl)imidazol-2-one (CID 121261527) is 1-[3-(2,3-diamino-4-pyridinyl)-2-ethylphenyl]-3-(4-methylphenyl)imidazol-2-one.
What is the SMILES notation for 1-[3-(2,3-diamino-4-pyridinyl)-2-ethylphenyl]-3-(4-methylphenyl)imidazol-2-one?
The canonical SMILES for 1-[3-(2,3-diamino-4-pyridinyl)-2-ethylphenyl]-3-(4-methylphenyl)imidazol-2-one is CCc1c(-c2ccnc(N)c2N)cccc1-n1ccn(-c2ccc(C)cc2)c1=O.
What is the InChIKey of 1-[3-(2,3-diamino-4-pyridinyl)-2-ethylphenyl]-3-(4-methylphenyl)imidazol-2-one?
The InChIKey is IGYCFCNVHCCVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c1-3-17-18(19-11-12-26-22(25)21(19)24)5-4-6-20(17)28-14-13-27(23(28)29)16-9-7-15(2)8-10-16/h4-14H,3,24H2,1-2H3,(H2,25,26).
What are the key properties of 1-[3-(2,3-diamino-4-pyridinyl)-2-ethylphenyl]-3-(4-methylphenyl)imidazol-2-one?
1-[3-(2,3-diamino-4-pyridinyl)-2-ethylphenyl]-3-(4-methylphenyl)imidazol-2-one has a molecular weight of 385.47 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,3-diamino-4-pyridinyl)-2-ethylphenyl]-3-(4-methylphenyl)imidazol-2-one is sourced from PubChem (CID 121261527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).