1-[[3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]-4-propan-2-ylpiperazine

C19H36N4O2S — CID 30673978

IUPAC1-[[3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]-4-propan-2-ylpiperazine
SMILESCC(C)CCn1c(CN2CCN(C(C)C)CC2)cnc1S(=O)(=O)C(C)C
InChIInChI=1S/C19H36N4O2S/c1-15(2)7-8-23-18(13-20-19(23)26(24,25)17(5)6)14-21-9-11-22(12-10-21)16(3)4/h13,15-17H,7-12,14H2,1-6H3
InChIKeyIPBZPKAWMBVEFO-UHFFFAOYSA-N
MW384.59 g/mol
LogP2.64
Rot. Bonds8

About 1-[[3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]-4-propan-2-ylpiperazine

1-[[3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]-4-propan-2-ylpiperazine (PubChem CID 30673978) has the molecular formula C19H36N4O2S and a molecular weight of 384.59 g/mol. Its IUPAC name is 1-[[3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[[3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]-4-propan-2-ylpiperazine
PubChem CID30673978
Molecular FormulaC19H36N4O2S
Molecular Weight384.59 g/mol
Exact Mass384.26
IUPAC Name1-[[3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]-4-propan-2-ylpiperazine
SMILESCC(C)CCn1c(CN2CCN(C(C)C)CC2)cnc1S(=O)(=O)C(C)C
InChIInChI=1S/C19H36N4O2S/c1-15(2)7-8-23-18(13-20-19(23)26(24,25)17(5)6)14-21-9-11-22(12-10-21)16(3)4/h13,15-17H,7-12,14H2,1-6H3
InChIKeyIPBZPKAWMBVEFO-UHFFFAOYSA-N
XLogP2.64
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.59
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 49862552
4-{[2-(cyclopentylsulfonyl)-1-(3-methoxypropyl)-1H-imidazol-5-yl]methyl}thiomorpholine
CID 30852802
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CID 45183265
1-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine
CID 45220137
1-[(1-methyl-1H-imidazol-5-yl)methyl]-3-[(methylsulfonyl)methyl]piperidine
CID 77080723
4-[(1-isobutyl-1H-imidazol-5-yl)methyl]thiomorpholine 1,1-dioxide
CID 91844196
5-[(7,7-dimethyl-1,1-dioxo-1,4-thiazepan-4-yl)methyl]-N,N,1-trimethylimidazol-2-amine
CID 136548920
Sdccgsbi-0114825.P001
CID 28394144
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CID 28739725
4-{[2-[(2,2-dimethylpropyl)sulfonyl]-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-1,2-dimethylpiperazine
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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]-4-propan-2-ylpiperazine?
The IUPAC name of 1-[[3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]-4-propan-2-ylpiperazine (CID 30673978) is 1-[[3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-[[3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]-4-propan-2-ylpiperazine?
The canonical SMILES for 1-[[3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]-4-propan-2-ylpiperazine is CC(C)CCn1c(CN2CCN(C(C)C)CC2)cnc1S(=O)(=O)C(C)C.
What is the InChIKey of 1-[[3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]-4-propan-2-ylpiperazine?
The InChIKey is IPBZPKAWMBVEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N4O2S/c1-15(2)7-8-23-18(13-20-19(23)26(24,25)17(5)6)14-21-9-11-22(12-10-21)16(3)4/h13,15-17H,7-12,14H2,1-6H3.
What are the key properties of 1-[[3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]-4-propan-2-ylpiperazine?
1-[[3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]-4-propan-2-ylpiperazine has a molecular weight of 384.59 g/mol, XLogP of 2.64, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]-4-propan-2-ylpiperazine is sourced from PubChem (CID 30673978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).