[(2S)-1-[[2-cycloheptylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]pyrrolidin-2-yl]methanol

C19H33N3O4S — CID 25274703

IUPAC[(2S)-1-[[2-cycloheptylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]pyrrolidin-2-yl]methanol
SMILESCOCCn1c(CN2CCC[C@H]2CO)cnc1S(=O)(=O)C1CCCCCC1
InChIInChI=1S/C19H33N3O4S/c1-26-12-11-22-17(14-21-10-6-7-16(21)15-23)13-20-19(22)27(24,25)18-8-4-2-3-5-9-18/h13,16,18,23H,2-12,14-15H2,1H3/t16-/m0/s1
InChIKeyVBEWTKOMRRHROF-INIZCTEOSA-N
MW399.56 g/mol
LogP1.98
Rot. Bonds8

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

[(2S)-1-[[2-cycloheptylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]pyrrolidin-2-yl]methanol (PubChem CID 25274703) has the molecular formula C19H33N3O4S and a molecular weight of 399.56 g/mol. Its IUPAC name is [(2S)-1-[[2-cycloheptylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-[[2-cycloheptylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]pyrrolidin-2-yl]methanol
PubChem CID25274703
Molecular FormulaC19H33N3O4S
Molecular Weight399.56 g/mol
Exact Mass399.22
IUPAC Name[(2S)-1-[[2-cycloheptylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]pyrrolidin-2-yl]methanol
SMILESCOCCn1c(CN2CCC[C@H]2CO)cnc1S(=O)(=O)C1CCCCCC1
InChIInChI=1S/C19H33N3O4S/c1-26-12-11-22-17(14-21-10-6-7-16(21)15-23)13-20-19(22)27(24,25)18-8-4-2-3-5-9-18/h13,16,18,23H,2-12,14-15H2,1H3/t16-/m0/s1
InChIKeyVBEWTKOMRRHROF-INIZCTEOSA-N
XLogP1.98
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.56
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [(2S)-1-[[2-cycloheptylsulfonyl-3-(2-methoxyethyl)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
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
N-{[2-(ethylsulfonyl)-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-N-methyl-2-(tetrahydro-2H-pyran-4-yl)ethanamine
CID 42513639
Sdccgsbi-0117255.P001
CID 42529828
Sdccgsbi-0114908.P001
CID 45252952
1-{[2-(ethylsulfonyl)-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}azepane
CID 25280377
N-[[2-cycloheptylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methylpropan-2-amine
CID 30881372
1-(2-methoxyethyl)-2-[(3-methylbutyl)sulfonyl]-5-(1-pyrrolidinylmethyl)-1H-imidazole
CID 42094398
1-{[2-(cycloheptylsulfonyl)-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-4-methoxypiperidine
CID 42290040
1-[2-(cycloheptylsulfonyl)-1-(2-methoxyethyl)-1H-imidazol-5-yl]-N,N-dimethylmethanamine
CID 42453817

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[[2-cycloheptylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-[[2-cycloheptylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]pyrrolidin-2-yl]methanol (CID 25274703) is [(2S)-1-[[2-cycloheptylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-[[2-cycloheptylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-[[2-cycloheptylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]pyrrolidin-2-yl]methanol is COCCn1c(CN2CCC[C@H]2CO)cnc1S(=O)(=O)C1CCCCCC1.
What is the InChIKey of [(2S)-1-[[2-cycloheptylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]pyrrolidin-2-yl]methanol?
The InChIKey is VBEWTKOMRRHROF-INIZCTEOSA-N. The full InChI is InChI=1S/C19H33N3O4S/c1-26-12-11-22-17(14-21-10-6-7-16(21)15-23)13-20-19(22)27(24,25)18-8-4-2-3-5-9-18/h13,16,18,23H,2-12,14-15H2,1H3/t16-/m0/s1.
What are the key properties of [(2S)-1-[[2-cycloheptylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]pyrrolidin-2-yl]methanol?
[(2S)-1-[[2-cycloheptylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]pyrrolidin-2-yl]methanol has a molecular weight of 399.56 g/mol, XLogP of 1.98, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[[2-cycloheptylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 25274703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).