[4-(2-tert-butylphenyl)piperazin-1-yl]-(1H-imidazol-5-yl)methanone

C18H24N4O — CID 66751133

IUPAC[4-(2-tert-butylphenyl)piperazin-1-yl]-(1H-imidazol-5-yl)methanone
SMILESCC(C)(C)c1ccccc1N1CCN(C(=O)c2cnc[nH]2)CC1
InChIInChI=1S/C18H24N4O/c1-18(2,3)14-6-4-5-7-16(14)21-8-10-22(11-9-21)17(23)15-12-19-13-20-15/h4-7,12-13H,8-11H2,1-3H3,(H,19,20)
InChIKeyDISALCDEOIPUGE-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.67
Rot. Bonds2

About [4-(2-tert-butylphenyl)piperazin-1-yl]-(1H-imidazol-5-yl)methanone

[4-(2-tert-butylphenyl)piperazin-1-yl]-(1H-imidazol-5-yl)methanone (PubChem CID 66751133) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is [4-(2-tert-butylphenyl)piperazin-1-yl]-(1H-imidazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(2-tert-butylphenyl)piperazin-1-yl]-(1H-imidazol-5-yl)methanone
PubChem CID66751133
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name[4-(2-tert-butylphenyl)piperazin-1-yl]-(1H-imidazol-5-yl)methanone
SMILESCC(C)(C)c1ccccc1N1CCN(C(=O)c2cnc[nH]2)CC1
InChIInChI=1S/C18H24N4O/c1-18(2,3)14-6-4-5-7-16(14)21-8-10-22(11-9-21)17(23)15-12-19-13-20-15/h4-7,12-13H,8-11H2,1-3H3,(H,19,20)
InChIKeyDISALCDEOIPUGE-UHFFFAOYSA-N
XLogP2.67
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(2-tert-butylphenyl)piperazin-1-yl]-(1H-imidazol-5-yl)methanone?
The IUPAC name of [4-(2-tert-butylphenyl)piperazin-1-yl]-(1H-imidazol-5-yl)methanone (CID 66751133) is [4-(2-tert-butylphenyl)piperazin-1-yl]-(1H-imidazol-5-yl)methanone.
What is the SMILES notation for [4-(2-tert-butylphenyl)piperazin-1-yl]-(1H-imidazol-5-yl)methanone?
The canonical SMILES for [4-(2-tert-butylphenyl)piperazin-1-yl]-(1H-imidazol-5-yl)methanone is CC(C)(C)c1ccccc1N1CCN(C(=O)c2cnc[nH]2)CC1.
What is the InChIKey of [4-(2-tert-butylphenyl)piperazin-1-yl]-(1H-imidazol-5-yl)methanone?
The InChIKey is DISALCDEOIPUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-18(2,3)14-6-4-5-7-16(14)21-8-10-22(11-9-21)17(23)15-12-19-13-20-15/h4-7,12-13H,8-11H2,1-3H3,(H,19,20).
What are the key properties of [4-(2-tert-butylphenyl)piperazin-1-yl]-(1H-imidazol-5-yl)methanone?
[4-(2-tert-butylphenyl)piperazin-1-yl]-(1H-imidazol-5-yl)methanone has a molecular weight of 312.42 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-tert-butylphenyl)piperazin-1-yl]-(1H-imidazol-5-yl)methanone is sourced from PubChem (CID 66751133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).