4-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]morpholine

C18H33N3O3S — CID 25274397

IUPAC4-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]morpholine
SMILESCCCCn1c(CN2CCOCC2)cnc1S(=O)(=O)CCCC(C)C
InChIInChI=1S/C18H33N3O3S/c1-4-5-8-21-17(15-20-9-11-24-12-10-20)14-19-18(21)25(22,23)13-6-7-16(2)3/h14,16H,4-13,15H2,1-3H3
InChIKeyHWPTXEAXKGZYJZ-UHFFFAOYSA-N
MW371.55 g/mol
LogP2.73
Rot. Bonds10

About 4-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]morpholine

4-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]morpholine (PubChem CID 25274397) has the molecular formula C18H33N3O3S and a molecular weight of 371.55 g/mol. Its IUPAC name is 4-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]morpholine
PubChem CID25274397
Molecular FormulaC18H33N3O3S
Molecular Weight371.55 g/mol
Exact Mass371.22
IUPAC Name4-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]morpholine
SMILESCCCCn1c(CN2CCOCC2)cnc1S(=O)(=O)CCCC(C)C
InChIInChI=1S/C18H33N3O3S/c1-4-5-8-21-17(15-20-9-11-24-12-10-20)14-19-18(21)25(22,23)13-6-7-16(2)3/h14,16H,4-13,15H2,1-3H3
InChIKeyHWPTXEAXKGZYJZ-UHFFFAOYSA-N
XLogP2.73
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.55
LogP ≤ 52.73
H-Bond Donors ≤ 50
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
N-{[2-(ethylsulfonyl)-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-N-methylethanamine
CID 42289096
2-{[2-[(cyclohexylmethyl)sulfonyl]-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-1,2-oxazinane
CID 42517541
2-{[2-[(cyclohexylmethyl)sulfonyl]-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}isoxazolidine
CID 42594408
4-{[2-[(cyclopropylmethyl)sulfonyl]-1-(tetrahydro-2-furanylmethyl)-1H-imidazol-5-yl]methyl}morpholine
CID 45185543
1-{[2-[(cyclopropylmethyl)sulfonyl]-1-(tetrahydro-2-furanylmethyl)-1H-imidazol-5-yl]methyl}-4-methylpiperazine
CID 45207185
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
4-{[2-[(cyclopropylmethyl)sulfonyl]-1-(tetrahydro-2-furanylmethyl)-1H-imidazol-5-yl]methyl}thiomorpholine
CID 45220977
1-{[2-[(cyclopropylmethyl)sulfonyl]-1-(tetrahydro-2-furanylmethyl)-1H-imidazol-5-yl]methyl}-4-methylpiperidine
CID 45239287

Frequently Asked Questions

What is the IUPAC name of 4-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]morpholine?
The IUPAC name of 4-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]morpholine (CID 25274397) is 4-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]morpholine.
What is the SMILES notation for 4-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]morpholine?
The canonical SMILES for 4-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]morpholine is CCCCn1c(CN2CCOCC2)cnc1S(=O)(=O)CCCC(C)C.
What is the InChIKey of 4-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]morpholine?
The InChIKey is HWPTXEAXKGZYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O3S/c1-4-5-8-21-17(15-20-9-11-24-12-10-20)14-19-18(21)25(22,23)13-6-7-16(2)3/h14,16H,4-13,15H2,1-3H3.
What are the key properties of 4-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]morpholine?
4-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]morpholine has a molecular weight of 371.55 g/mol, XLogP of 2.73, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]morpholine is sourced from PubChem (CID 25274397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).