[(2S,4R)-1-methyl-4-[2-[5-(2-methylpropyl)thiophen-2-yl]imidazol-1-yl]pyrrolidin-2-yl]methanol

C17H25N3OS — CID 70722945

IUPAC[(2S,4R)-1-methyl-4-[2-[5-(2-methylpropyl)thiophen-2-yl]imidazol-1-yl]pyrrolidin-2-yl]methanol
SMILESCC(C)Cc1ccc(-c2nccn2[C@@H]2C[C@@H](CO)N(C)C2)s1
InChIInChI=1S/C17H25N3OS/c1-12(2)8-15-4-5-16(22-15)17-18-6-7-20(17)13-9-14(11-21)19(3)10-13/h4-7,12-14,21H,8-11H2,1-3H3/t13-,14+/m1/s1
InChIKeyHTGCPHCGNAQAPN-KGLIPLIRSA-N
MW319.47 g/mol
LogP3.05
Rot. Bonds5

About [(2S,4R)-1-methyl-4-[2-[5-(2-methylpropyl)thiophen-2-yl]imidazol-1-yl]pyrrolidin-2-yl]methanol

[(2S,4R)-1-methyl-4-[2-[5-(2-methylpropyl)thiophen-2-yl]imidazol-1-yl]pyrrolidin-2-yl]methanol (PubChem CID 70722945) has the molecular formula C17H25N3OS and a molecular weight of 319.47 g/mol. Its IUPAC name is [(2S,4R)-1-methyl-4-[2-[5-(2-methylpropyl)thiophen-2-yl]imidazol-1-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4R)-1-methyl-4-[2-[5-(2-methylpropyl)thiophen-2-yl]imidazol-1-yl]pyrrolidin-2-yl]methanol
PubChem CID70722945
Molecular FormulaC17H25N3OS
Molecular Weight319.47 g/mol
Exact Mass319.17
IUPAC Name[(2S,4R)-1-methyl-4-[2-[5-(2-methylpropyl)thiophen-2-yl]imidazol-1-yl]pyrrolidin-2-yl]methanol
SMILESCC(C)Cc1ccc(-c2nccn2[C@@H]2C[C@@H](CO)N(C)C2)s1
InChIInChI=1S/C17H25N3OS/c1-12(2)8-15-4-5-16(22-15)17-18-6-7-20(17)13-9-14(11-21)19(3)10-13/h4-7,12-14,21H,8-11H2,1-3H3/t13-,14+/m1/s1
InChIKeyHTGCPHCGNAQAPN-KGLIPLIRSA-N
XLogP3.05
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(pyrrolidin-1-ylmethyl)-2-thienyl]-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-imidazole
CID 56874022
(1-{2-[2-(3-methyl-2-thienyl)-1H-imidazol-1-yl]ethyl}piperidin-2-yl)methanol
CID 56879472
2-[(5-Cyclopentylthiophen-2-yl)methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol
CID 131950135
2-(4-fluorophenyl)-2-{2-[4-(1-pyrrolidinylmethyl)-2-thienyl]-1H-imidazol-1-yl}ethanol
CID 154816901
3-(1-Methylimidazol-2-yl)-8-[(5-propylthiophen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 16673593
1-Imidazol-1-yl-1-[3-(3-methylbutyl)thiophen-2-yl]propan-2-ol
CID 20572850
2-[[(1-methyl-1H-imidazol-2-yl)methyl](5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-ylmethyl)amino]ethanol
CID 39767250
(1-methylimidazol-2-yl)-[1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-ylmethyl)piperidin-4-yl]methanol
CID 45175544
(1S,5R)-3-(1-methylimidazol-2-yl)-8-[(5-propylthiophen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 51492982
2-(2-Thiophen-2-ylimidazol-1-yl)cyclohexan-1-ol
CID 55206779
1-[(2-{4-[(dimethylamino)methyl]-2-thienyl}-1H-imidazol-1-yl)methyl]cyclohexanol
CID 56874403
3-(5-{1-[(1R*,2S*)-2-(methoxymethyl)cyclopentyl]-1H-imidazol-2-yl}-2-thienyl)prop-2-yn-1-ol
CID 56899308

Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-1-methyl-4-[2-[5-(2-methylpropyl)thiophen-2-yl]imidazol-1-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,4R)-1-methyl-4-[2-[5-(2-methylpropyl)thiophen-2-yl]imidazol-1-yl]pyrrolidin-2-yl]methanol (CID 70722945) is [(2S,4R)-1-methyl-4-[2-[5-(2-methylpropyl)thiophen-2-yl]imidazol-1-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,4R)-1-methyl-4-[2-[5-(2-methylpropyl)thiophen-2-yl]imidazol-1-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,4R)-1-methyl-4-[2-[5-(2-methylpropyl)thiophen-2-yl]imidazol-1-yl]pyrrolidin-2-yl]methanol is CC(C)Cc1ccc(-c2nccn2[C@@H]2C[C@@H](CO)N(C)C2)s1.
What is the InChIKey of [(2S,4R)-1-methyl-4-[2-[5-(2-methylpropyl)thiophen-2-yl]imidazol-1-yl]pyrrolidin-2-yl]methanol?
The InChIKey is HTGCPHCGNAQAPN-KGLIPLIRSA-N. The full InChI is InChI=1S/C17H25N3OS/c1-12(2)8-15-4-5-16(22-15)17-18-6-7-20(17)13-9-14(11-21)19(3)10-13/h4-7,12-14,21H,8-11H2,1-3H3/t13-,14+/m1/s1.
What are the key properties of [(2S,4R)-1-methyl-4-[2-[5-(2-methylpropyl)thiophen-2-yl]imidazol-1-yl]pyrrolidin-2-yl]methanol?
[(2S,4R)-1-methyl-4-[2-[5-(2-methylpropyl)thiophen-2-yl]imidazol-1-yl]pyrrolidin-2-yl]methanol has a molecular weight of 319.47 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-1-methyl-4-[2-[5-(2-methylpropyl)thiophen-2-yl]imidazol-1-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 70722945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).