[4-amino-2-[4-(1-ethylpiperidin-3-yl)oxyanilino]-1H-imidazol-5-yl]-(3-ethylphenyl)methanone

C25H31N5O2 — CID 142830473

IUPAC[4-amino-2-[4-(1-ethylpiperidin-3-yl)oxyanilino]-1H-imidazol-5-yl]-(3-ethylphenyl)methanone
SMILESCCc1cccc(C(=O)c2[nH]c(Nc3ccc(OC4CCCN(CC)C4)cc3)nc2N)c1
InChIInChI=1S/C25H31N5O2/c1-3-17-7-5-8-18(15-17)23(31)22-24(26)29-25(28-22)27-19-10-12-20(13-11-19)32-21-9-6-14-30(4-2)16-21/h5,7-8,10-13,15,21H,3-4,6,9,14,16,26H2,1-2H3,(H2,27,28,29)
InChIKeyXSFSGQBBHVWBLC-UHFFFAOYSA-N
MW433.56 g/mol
LogP4.39
Rot. Bonds8

About [4-amino-2-[4-(1-ethylpiperidin-3-yl)oxyanilino]-1H-imidazol-5-yl]-(3-ethylphenyl)methanone

[4-amino-2-[4-(1-ethylpiperidin-3-yl)oxyanilino]-1H-imidazol-5-yl]-(3-ethylphenyl)methanone (PubChem CID 142830473) has the molecular formula C25H31N5O2 and a molecular weight of 433.56 g/mol. Its IUPAC name is [4-amino-2-[4-(1-ethylpiperidin-3-yl)oxyanilino]-1H-imidazol-5-yl]-(3-ethylphenyl)methanone.

Molecular Properties

Compound Name[4-amino-2-[4-(1-ethylpiperidin-3-yl)oxyanilino]-1H-imidazol-5-yl]-(3-ethylphenyl)methanone
PubChem CID142830473
Molecular FormulaC25H31N5O2
Molecular Weight433.56 g/mol
Exact Mass433.25
IUPAC Name[4-amino-2-[4-(1-ethylpiperidin-3-yl)oxyanilino]-1H-imidazol-5-yl]-(3-ethylphenyl)methanone
SMILESCCc1cccc(C(=O)c2[nH]c(Nc3ccc(OC4CCCN(CC)C4)cc3)nc2N)c1
InChIInChI=1S/C25H31N5O2/c1-3-17-7-5-8-18(15-17)23(31)22-24(26)29-25(28-22)27-19-10-12-20(13-11-19)32-21-9-6-14-30(4-2)16-21/h5,7-8,10-13,15,21H,3-4,6,9,14,16,26H2,1-2H3,(H2,27,28,29)
InChIKeyXSFSGQBBHVWBLC-UHFFFAOYSA-N
XLogP4.39
TPSA96.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 54.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-amino-2-[4-(1-ethylpiperidin-3-yl)oxyanilino]-1H-imidazol-5-yl]-(3-ethylphenyl)methanone?
The IUPAC name of [4-amino-2-[4-(1-ethylpiperidin-3-yl)oxyanilino]-1H-imidazol-5-yl]-(3-ethylphenyl)methanone (CID 142830473) is [4-amino-2-[4-(1-ethylpiperidin-3-yl)oxyanilino]-1H-imidazol-5-yl]-(3-ethylphenyl)methanone.
What is the SMILES notation for [4-amino-2-[4-(1-ethylpiperidin-3-yl)oxyanilino]-1H-imidazol-5-yl]-(3-ethylphenyl)methanone?
The canonical SMILES for [4-amino-2-[4-(1-ethylpiperidin-3-yl)oxyanilino]-1H-imidazol-5-yl]-(3-ethylphenyl)methanone is CCc1cccc(C(=O)c2[nH]c(Nc3ccc(OC4CCCN(CC)C4)cc3)nc2N)c1.
What is the InChIKey of [4-amino-2-[4-(1-ethylpiperidin-3-yl)oxyanilino]-1H-imidazol-5-yl]-(3-ethylphenyl)methanone?
The InChIKey is XSFSGQBBHVWBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O2/c1-3-17-7-5-8-18(15-17)23(31)22-24(26)29-25(28-22)27-19-10-12-20(13-11-19)32-21-9-6-14-30(4-2)16-21/h5,7-8,10-13,15,21H,3-4,6,9,14,16,26H2,1-2H3,(H2,27,28,29).
What are the key properties of [4-amino-2-[4-(1-ethylpiperidin-3-yl)oxyanilino]-1H-imidazol-5-yl]-(3-ethylphenyl)methanone?
[4-amino-2-[4-(1-ethylpiperidin-3-yl)oxyanilino]-1H-imidazol-5-yl]-(3-ethylphenyl)methanone has a molecular weight of 433.56 g/mol, XLogP of 4.39, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-[4-(1-ethylpiperidin-3-yl)oxyanilino]-1H-imidazol-5-yl]-(3-ethylphenyl)methanone is sourced from PubChem (CID 142830473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).