1-[4-[[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]methyl]phenyl]imidazole

C19H21N3S — CID 86953433

IUPAC1-[4-[[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]methyl]phenyl]imidazole
SMILESCc1ccc(C2CCCN2Cc2ccc(-n3ccnc3)cc2)s1
InChIInChI=1S/C19H21N3S/c1-15-4-9-19(23-15)18-3-2-11-21(18)13-16-5-7-17(8-6-16)22-12-10-20-14-22/h4-10,12,14,18H,2-3,11,13H2,1H3
InChIKeyHYWGWVBUUOVEBY-UHFFFAOYSA-N
MW323.47 g/mol
LogP4.58
Rot. Bonds4

About 1-[4-[[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]methyl]phenyl]imidazole

1-[4-[[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]methyl]phenyl]imidazole (PubChem CID 86953433) has the molecular formula C19H21N3S and a molecular weight of 323.47 g/mol. Its IUPAC name is 1-[4-[[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]methyl]phenyl]imidazole.

Molecular Properties

Compound Name1-[4-[[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]methyl]phenyl]imidazole
PubChem CID86953433
Molecular FormulaC19H21N3S
Molecular Weight323.47 g/mol
Exact Mass323.15
IUPAC Name1-[4-[[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]methyl]phenyl]imidazole
SMILESCc1ccc(C2CCCN2Cc2ccc(-n3ccnc3)cc2)s1
InChIInChI=1S/C19H21N3S/c1-15-4-9-19(23-15)18-3-2-11-21(18)13-16-5-7-17(8-6-16)22-12-10-20-14-22/h4-10,12,14,18H,2-3,11,13H2,1H3
InChIKeyHYWGWVBUUOVEBY-UHFFFAOYSA-N
XLogP4.58
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.47
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]methyl]benzoate
CID 86953310
1-[(4-imidazol-1-ylphenyl)methyl]azocane
CID 167953311
1-[2-[1-[(4-imidazol-1-ylphenyl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 70738643
2-[(2R)-1-benzylpyrrolidin-2-yl]-6-imidazol-1-ylpyridine
CID 95815726
2-(5-methylthiophen-2-yl)-1-[(3-nitrophenyl)methyl]pyrrolidine
CID 86953336
(2R)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(5-methylthiophen-2-yl)azepane
CID 92878035
tert-butyl (3S)-4-[(4-imidazol-1-ylphenyl)methyl]thiomorpholine-3-carboxylate
CID 99785568
1-[1-[(4-imidazol-1-ylphenyl)methyl]pyrrolidin-3-yl]-3,5-dimethylpyrazole
CID 56905482
1-[(4-imidazol-1-ylphenyl)methyl]-3,5-dimethylpiperazine
CID 63874840
2-[1-[(4-imidazol-1-ylphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728732
1-[(4-imidazol-1-ylphenyl)methyl]-4-(2-methylphenyl)piperazine
CID 112801173
5-[1-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrrolidin-2-yl]thiophene-2-carboxamide
CID 45216025

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]methyl]phenyl]imidazole?
The IUPAC name of 1-[4-[[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]methyl]phenyl]imidazole (CID 86953433) is 1-[4-[[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]methyl]phenyl]imidazole.
What is the SMILES notation for 1-[4-[[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]methyl]phenyl]imidazole?
The canonical SMILES for 1-[4-[[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]methyl]phenyl]imidazole is Cc1ccc(C2CCCN2Cc2ccc(-n3ccnc3)cc2)s1.
What is the InChIKey of 1-[4-[[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]methyl]phenyl]imidazole?
The InChIKey is HYWGWVBUUOVEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3S/c1-15-4-9-19(23-15)18-3-2-11-21(18)13-16-5-7-17(8-6-16)22-12-10-20-14-22/h4-10,12,14,18H,2-3,11,13H2,1H3.
What are the key properties of 1-[4-[[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]methyl]phenyl]imidazole?
1-[4-[[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]methyl]phenyl]imidazole has a molecular weight of 323.47 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]methyl]phenyl]imidazole is sourced from PubChem (CID 86953433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).