[1-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]piperidin-4-yl]methanol

C20H37N3O3S — CID 42512854

IUPAC[1-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]piperidin-4-yl]methanol
SMILESCCCCn1c(CN2CCC(CO)CC2)cnc1S(=O)(=O)CCCC(C)C
InChIInChI=1S/C20H37N3O3S/c1-4-5-10-23-19(15-22-11-8-18(16-24)9-12-22)14-21-20(23)27(25,26)13-6-7-17(2)3/h14,17-18,24H,4-13,15-16H2,1-3H3
InChIKeyIUQGORPQYPYQNJ-UHFFFAOYSA-N
MW399.60 g/mol
LogP3.10
Rot. Bonds11

About [1-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]piperidin-4-yl]methanol

[1-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]piperidin-4-yl]methanol (PubChem CID 42512854) has the molecular formula C20H37N3O3S and a molecular weight of 399.60 g/mol. Its IUPAC name is [1-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]piperidin-4-yl]methanol
PubChem CID42512854
Molecular FormulaC20H37N3O3S
Molecular Weight399.60 g/mol
Exact Mass399.26
IUPAC Name[1-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]piperidin-4-yl]methanol
SMILESCCCCn1c(CN2CCC(CO)CC2)cnc1S(=O)(=O)CCCC(C)C
InChIInChI=1S/C20H37N3O3S/c1-4-5-10-23-19(15-22-11-8-18(16-24)9-12-22)14-21-20(23)27(25,26)13-6-7-17(2)3/h14,17-18,24H,4-13,15-16H2,1-3H3
InChIKeyIUQGORPQYPYQNJ-UHFFFAOYSA-N
XLogP3.10
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.60
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-{[2-(cyclopentylsulfonyl)-1-(3-methoxypropyl)-1H-imidazol-5-yl]methyl}-1,2-oxazinane
CID 26399203
4-{[2-(cyclopentylsulfonyl)-1-(3-methoxypropyl)-1H-imidazol-5-yl]methyl}thiomorpholine
CID 30852802
2-{[2-[(cyclohexylmethyl)sulfonyl]-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-1,2-oxazinane
CID 42517541
4-methyl-1-{[2-(propylsulfonyl)-1-(tetrahydro-2-furanylmethyl)-1H-imidazol-5-yl]methyl}piperidine
CID 45210739
(1-{[2-(propylsulfonyl)-1-(tetrahydro-2-furanylmethyl)-1H-imidazol-5-yl]methyl}-4-piperidinyl)methanol
CID 45216013
1-{[2-(cyclopentylsulfonyl)-1-(3-methoxypropyl)-1H-imidazol-5-yl]methyl}-3-piperidinol
CID 45216916
1-{[2-[(cyclopropylmethyl)sulfonyl]-1-(tetrahydro-2-furanylmethyl)-1H-imidazol-5-yl]methyl}-4-methylpiperidine
CID 45239287
1-[(1-methyl-1H-imidazol-5-yl)methyl]-3-[(methylsulfonyl)methyl]piperidine
CID 77080723
N-{[2-(ethylsulfonyl)-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-N-methyl-2-(tetrahydro-2H-pyran-4-yl)ethanamine
CID 42513639
4-{[2-[(2,2-dimethylpropyl)sulfonyl]-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-1,2-dimethylpiperazine
CID 45173309
({1-butyl-2-[(4-methylpentyl)sulfonyl]-1H-imidazol-5-yl}methyl)ethyl(methyl)amine
CID 25273955
({1-butyl-2-[(cyclobutylmethyl)sulfonyl]-1H-imidazol-5-yl}methyl)isopropyl(methyl)amine
CID 25274212

Frequently Asked Questions

What is the IUPAC name of [1-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]piperidin-4-yl]methanol (CID 42512854) is [1-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]piperidin-4-yl]methanol is CCCCn1c(CN2CCC(CO)CC2)cnc1S(=O)(=O)CCCC(C)C.
What is the InChIKey of [1-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]piperidin-4-yl]methanol?
The InChIKey is IUQGORPQYPYQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N3O3S/c1-4-5-10-23-19(15-22-11-8-18(16-24)9-12-22)14-21-20(23)27(25,26)13-6-7-17(2)3/h14,17-18,24H,4-13,15-16H2,1-3H3.
What are the key properties of [1-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]piperidin-4-yl]methanol?
[1-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]piperidin-4-yl]methanol has a molecular weight of 399.60 g/mol, XLogP of 3.10, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]piperidin-4-yl]methanol is sourced from PubChem (CID 42512854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).