1-(4-butoxyphenyl)-3-[4-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]imidazol-2-one

C26H40N4O2 — CID 58906622

IUPAC1-(4-butoxyphenyl)-3-[4-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]imidazol-2-one
SMILESCCCCOc1ccc(-n2ccn(C3CCC(N4CCN(C(C)C)CC4)CC3)c2=O)cc1
InChIInChI=1S/C26H40N4O2/c1-4-5-20-32-25-12-10-24(11-13-25)30-19-18-29(26(30)31)23-8-6-22(7-9-23)28-16-14-27(15-17-28)21(2)3/h10-13,18-19,21-23H,4-9,14-17,20H2,1-3H3
InChIKeyYNUOBXKQZAXAMB-UHFFFAOYSA-N
MW440.63 g/mol
LogP4.33
Rot. Bonds8

About 1-(4-butoxyphenyl)-3-[4-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]imidazol-2-one

1-(4-butoxyphenyl)-3-[4-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]imidazol-2-one (PubChem CID 58906622) has the molecular formula C26H40N4O2 and a molecular weight of 440.63 g/mol. Its IUPAC name is 1-(4-butoxyphenyl)-3-[4-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]imidazol-2-one.

Molecular Properties

Compound Name1-(4-butoxyphenyl)-3-[4-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]imidazol-2-one
PubChem CID58906622
Molecular FormulaC26H40N4O2
Molecular Weight440.63 g/mol
Exact Mass440.32
IUPAC Name1-(4-butoxyphenyl)-3-[4-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]imidazol-2-one
SMILESCCCCOc1ccc(-n2ccn(C3CCC(N4CCN(C(C)C)CC4)CC3)c2=O)cc1
InChIInChI=1S/C26H40N4O2/c1-4-5-20-32-25-12-10-24(11-13-25)30-19-18-29(26(30)31)23-8-6-22(7-9-23)28-16-14-27(15-17-28)21(2)3/h10-13,18-19,21-23H,4-9,14-17,20H2,1-3H3
InChIKeyYNUOBXKQZAXAMB-UHFFFAOYSA-N
XLogP4.33
TPSA42.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.63
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-butoxyphenyl)-3-[4-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]imidazol-2-one?
The IUPAC name of 1-(4-butoxyphenyl)-3-[4-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]imidazol-2-one (CID 58906622) is 1-(4-butoxyphenyl)-3-[4-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]imidazol-2-one.
What is the SMILES notation for 1-(4-butoxyphenyl)-3-[4-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]imidazol-2-one?
The canonical SMILES for 1-(4-butoxyphenyl)-3-[4-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]imidazol-2-one is CCCCOc1ccc(-n2ccn(C3CCC(N4CCN(C(C)C)CC4)CC3)c2=O)cc1.
What is the InChIKey of 1-(4-butoxyphenyl)-3-[4-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]imidazol-2-one?
The InChIKey is YNUOBXKQZAXAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N4O2/c1-4-5-20-32-25-12-10-24(11-13-25)30-19-18-29(26(30)31)23-8-6-22(7-9-23)28-16-14-27(15-17-28)21(2)3/h10-13,18-19,21-23H,4-9,14-17,20H2,1-3H3.
What are the key properties of 1-(4-butoxyphenyl)-3-[4-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]imidazol-2-one?
1-(4-butoxyphenyl)-3-[4-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]imidazol-2-one has a molecular weight of 440.63 g/mol, XLogP of 4.33, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butoxyphenyl)-3-[4-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]imidazol-2-one is sourced from PubChem (CID 58906622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).