N-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]-N-methylpropan-2-amine

C18H35N3O2S — CID 42195234

IUPACN-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]-N-methylpropan-2-amine
SMILESCCCCn1c(CN(C)C(C)C)cnc1S(=O)(=O)CCCC(C)C
InChIInChI=1S/C18H35N3O2S/c1-7-8-11-21-17(14-20(6)16(4)5)13-19-18(21)24(22,23)12-9-10-15(2)3/h13,15-16H,7-12,14H2,1-6H3
InChIKeyUMXVFBYVAQOQID-UHFFFAOYSA-N
MW357.56 g/mol
LogP3.73
Rot. Bonds11

About N-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]-N-methylpropan-2-amine

N-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]-N-methylpropan-2-amine (PubChem CID 42195234) has the molecular formula C18H35N3O2S and a molecular weight of 357.56 g/mol. Its IUPAC name is N-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]-N-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]-N-methylpropan-2-amine
PubChem CID42195234
Molecular FormulaC18H35N3O2S
Molecular Weight357.56 g/mol
Exact Mass357.24
IUPAC NameN-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]-N-methylpropan-2-amine
SMILESCCCCn1c(CN(C)C(C)C)cnc1S(=O)(=O)CCCC(C)C
InChIInChI=1S/C18H35N3O2S/c1-7-8-11-21-17(14-20(6)16(4)5)13-19-18(21)24(22,23)12-9-10-15(2)3/h13,15-16H,7-12,14H2,1-6H3
InChIKeyUMXVFBYVAQOQID-UHFFFAOYSA-N
XLogP3.73
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.56
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-{[2-(ethylsulfonyl)-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-N-methylethanamine
CID 42289096
1-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine
CID 45220137
({1-(cyclohexylmethyl)-2-[(cyclopropylmethyl)sulfonyl]-1H-imidazol-5-yl}methyl)methyl[(1-methyl-1H-imidazol-2-yl)methyl]amine
CID 25287503
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
N-{[1-butyl-2-(ethylsulfonyl)-1H-imidazol-5-yl]methyl}-N-2-propyn-1-ylcyclohexanamine
CID 28739725
4-{[2-[(2,2-dimethylpropyl)sulfonyl]-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-1,2-dimethylpiperazine
CID 45173309
N-ethyl-2-methylsulfonyl-N-[[3-methyl-2-(trifluoromethylsulfanyl)imidazol-4-yl]methyl]ethanamine
CID 126841708
1-(cyclohexylmethyl)-2-(methylsulfonyl)-5-(1-pyrrolidinylmethyl)-1H-imidazole
CID 25273953
({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 N-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]-N-methylpropan-2-amine?
The IUPAC name of N-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]-N-methylpropan-2-amine (CID 42195234) is N-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]-N-methylpropan-2-amine.
What is the SMILES notation for N-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]-N-methylpropan-2-amine?
The canonical SMILES for N-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]-N-methylpropan-2-amine is CCCCn1c(CN(C)C(C)C)cnc1S(=O)(=O)CCCC(C)C.
What is the InChIKey of N-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]-N-methylpropan-2-amine?
The InChIKey is UMXVFBYVAQOQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O2S/c1-7-8-11-21-17(14-20(6)16(4)5)13-19-18(21)24(22,23)12-9-10-15(2)3/h13,15-16H,7-12,14H2,1-6H3.
What are the key properties of N-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]-N-methylpropan-2-amine?
N-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]-N-methylpropan-2-amine has a molecular weight of 357.56 g/mol, XLogP of 3.73, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]-N-methylpropan-2-amine is sourced from PubChem (CID 42195234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).