2-(thiophen-2-ylmethyl)-1H-imidazole;2-[(2,4,5-trimethylthiophen-3-yl)methyl]-4,5-dihydro-1H-imidazole;2-[(2,4,5-trimethylthiophen-3-yl)methyl]-1H-imidazole

C30H38N6S3 — CID 69120066

IUPAC2-(thiophen-2-ylmethyl)-1H-imidazole;2-[(2,4,5-trimethylthiophen-3-yl)methyl]-4,5-dihydro-1H-imidazole;2-[(2,4,5-trimethylthiophen-3-yl)methyl]-1H-imidazole
SMILESCc1sc(C)c(CC2=NCCN2)c1C.Cc1sc(C)c(Cc2ncc[nH]2)c1C.c1csc(Cc2ncc[nH]2)c1
InChIInChI=1S/C11H16N2S.C11H14N2S.C8H8N2S/c2*1-7-8(2)14-9(3)10(7)6-11-12-4-5-13-11;1-2-7(11-5-1)6-8-9-3-4-10-8/h4-6H2,1-3H3,(H,12,13);4-5H,6H2,1-3H3,(H,12,13);1-5H,6H2,(H,9,10)
InChIKeyYYROGPGGQNNTAT-UHFFFAOYSA-N
MW578.88 g/mol
LogP7.27
Rot. Bonds6

About 2-(thiophen-2-ylmethyl)-1H-imidazole;2-[(2,4,5-trimethylthiophen-3-yl)methyl]-4,5-dihydro-1H-imidazole;2-[(2,4,5-trimethylthiophen-3-yl)methyl]-1H-imidazole

2-(thiophen-2-ylmethyl)-1H-imidazole;2-[(2,4,5-trimethylthiophen-3-yl)methyl]-4,5-dihydro-1H-imidazole;2-[(2,4,5-trimethylthiophen-3-yl)methyl]-1H-imidazole (PubChem CID 69120066) has the molecular formula C30H38N6S3 and a molecular weight of 578.88 g/mol. Its IUPAC name is 2-(thiophen-2-ylmethyl)-1H-imidazole;2-[(2,4,5-trimethylthiophen-3-yl)methyl]-4,5-dihydro-1H-imidazole;2-[(2,4,5-trimethylthiophen-3-yl)methyl]-1H-imidazole.

Molecular Properties

Compound Name2-(thiophen-2-ylmethyl)-1H-imidazole;2-[(2,4,5-trimethylthiophen-3-yl)methyl]-4,5-dihydro-1H-imidazole;2-[(2,4,5-trimethylthiophen-3-yl)methyl]-1H-imidazole
PubChem CID69120066
Molecular FormulaC30H38N6S3
Molecular Weight578.88 g/mol
Exact Mass578.23
IUPAC Name2-(thiophen-2-ylmethyl)-1H-imidazole;2-[(2,4,5-trimethylthiophen-3-yl)methyl]-4,5-dihydro-1H-imidazole;2-[(2,4,5-trimethylthiophen-3-yl)methyl]-1H-imidazole
SMILESCc1sc(C)c(CC2=NCCN2)c1C.Cc1sc(C)c(Cc2ncc[nH]2)c1C.c1csc(Cc2ncc[nH]2)c1
InChIInChI=1S/C11H16N2S.C11H14N2S.C8H8N2S/c2*1-7-8(2)14-9(3)10(7)6-11-12-4-5-13-11;1-2-7(11-5-1)6-8-9-3-4-10-8/h4-6H2,1-3H3,(H,12,13);4-5H,6H2,1-3H3,(H,12,13);1-5H,6H2,(H,9,10)
InChIKeyYYROGPGGQNNTAT-UHFFFAOYSA-N
XLogP7.27
TPSA81.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.88
LogP ≤ 57.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-(thiophen-2-ylmethyl)-1H-imidazole;2-[(2,4,5-trimethylthiophen-3-yl)methyl]-4,5-dihydro-1H-imidazole;2-[(2,4,5-trimethylthiophen-3-yl)methyl]-1H-imidazole with MolForge

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Related Compounds

2-(thiophen-2-ylmethyl)-4,5-dihydro-1H-imidazole;hydrochloride
CID 54611616
2-[(3-chloro-2-ethyl-6-fluorophenyl)methyl]-4,5-dihydro-1H-imidazole;2-[(2,6-diethyl-3-fluorophenyl)methyl]-1H-imidazole
CID 69120216
2-[(2-methyl-3-thiophen-2-ylphenyl)methyl]-4,5-dihydro-1H-imidazole
CID 169281098
N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 63939846
2-[(2-bromo-6-methylphenyl)methyl]-1H-imidazole
CID 58951728
5-(thiophen-2-ylmethyl)-1H-1,2,4-triazole
CID 118564355
2-[(2-chloro-6-iodophenyl)methyl]-4,5-dihydro-1H-imidazole
CID 24779846
N,N-bis(1H-imidazol-2-ylmethyl)-1-[4-[[3-(thiophen-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]methanamine
CID 67500194
2-[(3,5-dimethylphenyl)methyl]-1H-imidazole
CID 174788270
5,6-dimethyl-2-(2-thiophen-2-ylethylamino)-3H-thieno[2,3-d]pyrimidin-4-one
CID 155808823
2-[(4-fluoro-2,6-dimethylphenyl)methyl]-1H-imidazole
CID 58951735
acetonitrile;2-benzyl-1H-imidazole
CID 23033706

Frequently Asked Questions

What is the IUPAC name of 2-(thiophen-2-ylmethyl)-1H-imidazole;2-[(2,4,5-trimethylthiophen-3-yl)methyl]-4,5-dihydro-1H-imidazole;2-[(2,4,5-trimethylthiophen-3-yl)methyl]-1H-imidazole?
The IUPAC name of 2-(thiophen-2-ylmethyl)-1H-imidazole;2-[(2,4,5-trimethylthiophen-3-yl)methyl]-4,5-dihydro-1H-imidazole;2-[(2,4,5-trimethylthiophen-3-yl)methyl]-1H-imidazole (CID 69120066) is 2-(thiophen-2-ylmethyl)-1H-imidazole;2-[(2,4,5-trimethylthiophen-3-yl)methyl]-4,5-dihydro-1H-imidazole;2-[(2,4,5-trimethylthiophen-3-yl)methyl]-1H-imidazole.
What is the SMILES notation for 2-(thiophen-2-ylmethyl)-1H-imidazole;2-[(2,4,5-trimethylthiophen-3-yl)methyl]-4,5-dihydro-1H-imidazole;2-[(2,4,5-trimethylthiophen-3-yl)methyl]-1H-imidazole?
The canonical SMILES for 2-(thiophen-2-ylmethyl)-1H-imidazole;2-[(2,4,5-trimethylthiophen-3-yl)methyl]-4,5-dihydro-1H-imidazole;2-[(2,4,5-trimethylthiophen-3-yl)methyl]-1H-imidazole is Cc1sc(C)c(CC2=NCCN2)c1C.Cc1sc(C)c(Cc2ncc[nH]2)c1C.c1csc(Cc2ncc[nH]2)c1.
What is the InChIKey of 2-(thiophen-2-ylmethyl)-1H-imidazole;2-[(2,4,5-trimethylthiophen-3-yl)methyl]-4,5-dihydro-1H-imidazole;2-[(2,4,5-trimethylthiophen-3-yl)methyl]-1H-imidazole?
The InChIKey is YYROGPGGQNNTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S.C11H14N2S.C8H8N2S/c2*1-7-8(2)14-9(3)10(7)6-11-12-4-5-13-11;1-2-7(11-5-1)6-8-9-3-4-10-8/h4-6H2,1-3H3,(H,12,13);4-5H,6H2,1-3H3,(H,12,13);1-5H,6H2,(H,9,10).
What are the key properties of 2-(thiophen-2-ylmethyl)-1H-imidazole;2-[(2,4,5-trimethylthiophen-3-yl)methyl]-4,5-dihydro-1H-imidazole;2-[(2,4,5-trimethylthiophen-3-yl)methyl]-1H-imidazole?
2-(thiophen-2-ylmethyl)-1H-imidazole;2-[(2,4,5-trimethylthiophen-3-yl)methyl]-4,5-dihydro-1H-imidazole;2-[(2,4,5-trimethylthiophen-3-yl)methyl]-1H-imidazole has a molecular weight of 578.88 g/mol, XLogP of 7.27, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiophen-2-ylmethyl)-1H-imidazole;2-[(2,4,5-trimethylthiophen-3-yl)methyl]-4,5-dihydro-1H-imidazole;2-[(2,4,5-trimethylthiophen-3-yl)methyl]-1H-imidazole is sourced from PubChem (CID 69120066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).