1-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]-4-methylpiperazine

C18H32N4O2S — CID 29087003

IUPAC1-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]-4-methylpiperazine
SMILESCCCCn1c(CN2CCN(C)CC2)cnc1S(=O)(=O)CC1CCC1
InChIInChI=1S/C18H32N4O2S/c1-3-4-8-22-17(14-21-11-9-20(2)10-12-21)13-19-18(22)25(23,24)15-16-6-5-7-16/h13,16H,3-12,14-15H2,1-2H3
InChIKeyBJXFIMKBVCWZLN-UHFFFAOYSA-N
MW368.55 g/mol
LogP2.00
Rot. Bonds8

About 1-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]-4-methylpiperazine

1-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]-4-methylpiperazine (PubChem CID 29087003) has the molecular formula C18H32N4O2S and a molecular weight of 368.55 g/mol. Its IUPAC name is 1-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]-4-methylpiperazine
PubChem CID29087003
Molecular FormulaC18H32N4O2S
Molecular Weight368.55 g/mol
Exact Mass368.22
IUPAC Name1-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]-4-methylpiperazine
SMILESCCCCn1c(CN2CCN(C)CC2)cnc1S(=O)(=O)CC1CCC1
InChIInChI=1S/C18H32N4O2S/c1-3-4-8-22-17(14-21-11-9-20(2)10-12-21)13-19-18(22)25(23,24)15-16-6-5-7-16/h13,16H,3-12,14-15H2,1-2H3
InChIKeyBJXFIMKBVCWZLN-UHFFFAOYSA-N
XLogP2.00
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.55
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]-4-methylpiperazine?
The IUPAC name of 1-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]-4-methylpiperazine (CID 29087003) is 1-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]-4-methylpiperazine.
What is the SMILES notation for 1-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]-4-methylpiperazine?
The canonical SMILES for 1-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]-4-methylpiperazine is CCCCn1c(CN2CCN(C)CC2)cnc1S(=O)(=O)CC1CCC1.
What is the InChIKey of 1-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]-4-methylpiperazine?
The InChIKey is BJXFIMKBVCWZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O2S/c1-3-4-8-22-17(14-21-11-9-20(2)10-12-21)13-19-18(22)25(23,24)15-16-6-5-7-16/h13,16H,3-12,14-15H2,1-2H3.
What are the key properties of 1-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]-4-methylpiperazine?
1-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]-4-methylpiperazine has a molecular weight of 368.55 g/mol, XLogP of 2.00, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]-4-methylpiperazine is sourced from PubChem (CID 29087003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).