1-(2-methoxyethyl)-2-(3-methylbutylsulfonyl)-5-(pyrrolidin-1-ylmethyl)imidazole

C16H29N3O3S — CID 42094398

IUPAC1-(2-methoxyethyl)-2-(3-methylbutylsulfonyl)-5-(pyrrolidin-1-ylmethyl)imidazole
SMILESCOCCn1c(CN2CCCC2)cnc1S(=O)(=O)CCC(C)C
InChIInChI=1S/C16H29N3O3S/c1-14(2)6-11-23(20,21)16-17-12-15(19(16)9-10-22-3)13-18-7-4-5-8-18/h12,14H,4-11,13H2,1-3H3
InChIKeyTZIBATRCQWZUCW-UHFFFAOYSA-N
MW343.49 g/mol
LogP1.95
Rot. Bonds9

About 1-(2-methoxyethyl)-2-(3-methylbutylsulfonyl)-5-(pyrrolidin-1-ylmethyl)imidazole

1-(2-methoxyethyl)-2-(3-methylbutylsulfonyl)-5-(pyrrolidin-1-ylmethyl)imidazole (PubChem CID 42094398) has the molecular formula C16H29N3O3S and a molecular weight of 343.49 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-2-(3-methylbutylsulfonyl)-5-(pyrrolidin-1-ylmethyl)imidazole.

Molecular Properties

Compound Name1-(2-methoxyethyl)-2-(3-methylbutylsulfonyl)-5-(pyrrolidin-1-ylmethyl)imidazole
PubChem CID42094398
Molecular FormulaC16H29N3O3S
Molecular Weight343.49 g/mol
Exact Mass343.19
IUPAC Name1-(2-methoxyethyl)-2-(3-methylbutylsulfonyl)-5-(pyrrolidin-1-ylmethyl)imidazole
SMILESCOCCn1c(CN2CCCC2)cnc1S(=O)(=O)CCC(C)C
InChIInChI=1S/C16H29N3O3S/c1-14(2)6-11-23(20,21)16-17-12-15(19(16)9-10-22-3)13-18-7-4-5-8-18/h12,14H,4-11,13H2,1-3H3
InChIKeyTZIBATRCQWZUCW-UHFFFAOYSA-N
XLogP1.95
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.49
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(2-methoxyethyl)-2-(3-methylbutylsulfonyl)-5-(pyrrolidin-1-ylmethyl)imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
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-[(cyclohexylmethyl)sulfonyl]-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-N-2-propyn-1-yl-2-propen-1-amine
CID 28389274

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-2-(3-methylbutylsulfonyl)-5-(pyrrolidin-1-ylmethyl)imidazole?
The IUPAC name of 1-(2-methoxyethyl)-2-(3-methylbutylsulfonyl)-5-(pyrrolidin-1-ylmethyl)imidazole (CID 42094398) is 1-(2-methoxyethyl)-2-(3-methylbutylsulfonyl)-5-(pyrrolidin-1-ylmethyl)imidazole.
What is the SMILES notation for 1-(2-methoxyethyl)-2-(3-methylbutylsulfonyl)-5-(pyrrolidin-1-ylmethyl)imidazole?
The canonical SMILES for 1-(2-methoxyethyl)-2-(3-methylbutylsulfonyl)-5-(pyrrolidin-1-ylmethyl)imidazole is COCCn1c(CN2CCCC2)cnc1S(=O)(=O)CCC(C)C.
What is the InChIKey of 1-(2-methoxyethyl)-2-(3-methylbutylsulfonyl)-5-(pyrrolidin-1-ylmethyl)imidazole?
The InChIKey is TZIBATRCQWZUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O3S/c1-14(2)6-11-23(20,21)16-17-12-15(19(16)9-10-22-3)13-18-7-4-5-8-18/h12,14H,4-11,13H2,1-3H3.
What are the key properties of 1-(2-methoxyethyl)-2-(3-methylbutylsulfonyl)-5-(pyrrolidin-1-ylmethyl)imidazole?
1-(2-methoxyethyl)-2-(3-methylbutylsulfonyl)-5-(pyrrolidin-1-ylmethyl)imidazole has a molecular weight of 343.49 g/mol, XLogP of 1.95, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-2-(3-methylbutylsulfonyl)-5-(pyrrolidin-1-ylmethyl)imidazole is sourced from PubChem (CID 42094398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).