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

C19H35N3O3S — CID 42516192

IUPAC[(2S)-1-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]pyrrolidin-2-yl]methanol
SMILESCCCCn1c(CN2CCC[C@H]2CO)cnc1S(=O)(=O)CCCC(C)C
InChIInChI=1S/C19H35N3O3S/c1-4-5-11-22-18(14-21-10-6-9-17(21)15-23)13-20-19(22)26(24,25)12-7-8-16(2)3/h13,16-17,23H,4-12,14-15H2,1-3H3/t17-/m0/s1
InChIKeyFHYBPIJNYKQCCO-KRWDZBQOSA-N
MW385.57 g/mol
LogP2.85
Rot. Bonds11

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

[(2S)-1-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]pyrrolidin-2-yl]methanol (PubChem CID 42516192) has the molecular formula C19H35N3O3S and a molecular weight of 385.57 g/mol. Its IUPAC name is [(2S)-1-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]pyrrolidin-2-yl]methanol
PubChem CID42516192
Molecular FormulaC19H35N3O3S
Molecular Weight385.57 g/mol
Exact Mass385.24
IUPAC Name[(2S)-1-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]pyrrolidin-2-yl]methanol
SMILESCCCCn1c(CN2CCC[C@H]2CO)cnc1S(=O)(=O)CCCC(C)C
InChIInChI=1S/C19H35N3O3S/c1-4-5-11-22-18(14-21-10-6-9-17(21)15-23)13-20-19(22)26(24,25)12-7-8-16(2)3/h13,16-17,23H,4-12,14-15H2,1-3H3/t17-/m0/s1
InChIKeyFHYBPIJNYKQCCO-KRWDZBQOSA-N
XLogP2.85
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.57
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(2S)-1-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]pyrrolidin-2-yl]methanol with MolForge

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Related Compounds

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
N-{[2-(ethylsulfonyl)-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-N-methyl-2-(tetrahydro-2H-pyran-4-yl)ethanamine
CID 42513639
Sdccgsbi-0114908.P001
CID 45252952
({1-butyl-2-[(4-methylpentyl)sulfonyl]-1H-imidazol-5-yl}methyl)ethyl(methyl)amine
CID 25273955
((2S)-1-{[2-(cycloheptylsulfonyl)-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-2-pyrrolidinyl)methanol
CID 25274703
1-(2-methoxyethyl)-2-[(3-methylbutyl)sulfonyl]-5-(1-pyrrolidinylmethyl)-1H-imidazole
CID 42094398

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]pyrrolidin-2-yl]methanol (CID 42516192) is [(2S)-1-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]pyrrolidin-2-yl]methanol is CCCCn1c(CN2CCC[C@H]2CO)cnc1S(=O)(=O)CCCC(C)C.
What is the InChIKey of [(2S)-1-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]pyrrolidin-2-yl]methanol?
The InChIKey is FHYBPIJNYKQCCO-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H35N3O3S/c1-4-5-11-22-18(14-21-10-6-9-17(21)15-23)13-20-19(22)26(24,25)12-7-8-16(2)3/h13,16-17,23H,4-12,14-15H2,1-3H3/t17-/m0/s1.
What are the key properties of [(2S)-1-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]pyrrolidin-2-yl]methanol?
[(2S)-1-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]pyrrolidin-2-yl]methanol has a molecular weight of 385.57 g/mol, XLogP of 2.85, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 42516192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).