5-methyl-2,4-dithiophen-2-yl-1H-imidazole;5-methyl-2-phenyl-4-thiophen-2-yl-1H-imidazole;2-phenyl-5-thiophen-3-yl-1H-imidazole

C39H32N6S4 — CID 158507989

IUPAC5-methyl-2,4-dithiophen-2-yl-1H-imidazole;5-methyl-2-phenyl-4-thiophen-2-yl-1H-imidazole;2-phenyl-5-thiophen-3-yl-1H-imidazole
SMILESCc1[nH]c(-c2ccccc2)nc1-c1cccs1.Cc1[nH]c(-c2cccs2)nc1-c1cccs1.c1ccc(-c2ncc(-c3ccsc3)[nH]2)cc1
InChIInChI=1S/C14H12N2S.C13H10N2S.C12H10N2S2/c1-10-13(12-8-5-9-17-12)16-14(15-10)11-6-3-2-4-7-11;1-2-4-10(5-3-1)13-14-8-12(15-13)11-6-7-16-9-11;1-8-11(9-4-2-6-15-9)14-12(13-8)10-5-3-7-16-10/h2-9H,1H3,(H,15,16);1-9H,(H,14,15);2-7H,1H3,(H,13,14)
InChIKeyHKRQIIMIGJYYSY-UHFFFAOYSA-N
MW713.00 g/mol
LogP12.09
Rot. Bonds6

About 5-methyl-2,4-dithiophen-2-yl-1H-imidazole;5-methyl-2-phenyl-4-thiophen-2-yl-1H-imidazole;2-phenyl-5-thiophen-3-yl-1H-imidazole

5-methyl-2,4-dithiophen-2-yl-1H-imidazole;5-methyl-2-phenyl-4-thiophen-2-yl-1H-imidazole;2-phenyl-5-thiophen-3-yl-1H-imidazole (PubChem CID 158507989) has the molecular formula C39H32N6S4 and a molecular weight of 713.00 g/mol. Its IUPAC name is 5-methyl-2,4-dithiophen-2-yl-1H-imidazole;5-methyl-2-phenyl-4-thiophen-2-yl-1H-imidazole;2-phenyl-5-thiophen-3-yl-1H-imidazole.

Molecular Properties

Compound Name5-methyl-2,4-dithiophen-2-yl-1H-imidazole;5-methyl-2-phenyl-4-thiophen-2-yl-1H-imidazole;2-phenyl-5-thiophen-3-yl-1H-imidazole
PubChem CID158507989
Molecular FormulaC39H32N6S4
Molecular Weight713.00 g/mol
Exact Mass712.16
IUPAC Name5-methyl-2,4-dithiophen-2-yl-1H-imidazole;5-methyl-2-phenyl-4-thiophen-2-yl-1H-imidazole;2-phenyl-5-thiophen-3-yl-1H-imidazole
SMILESCc1[nH]c(-c2ccccc2)nc1-c1cccs1.Cc1[nH]c(-c2cccs2)nc1-c1cccs1.c1ccc(-c2ncc(-c3ccsc3)[nH]2)cc1
InChIInChI=1S/C14H12N2S.C13H10N2S.C12H10N2S2/c1-10-13(12-8-5-9-17-12)16-14(15-10)11-6-3-2-4-7-11;1-2-4-10(5-3-1)13-14-8-12(15-13)11-6-7-16-9-11;1-8-11(9-4-2-6-15-9)14-12(13-8)10-5-3-7-16-10/h2-9H,1H3,(H,15,16);1-9H,(H,14,15);2-7H,1H3,(H,13,14)
InChIKeyHKRQIIMIGJYYSY-UHFFFAOYSA-N
XLogP12.09
TPSA86.04 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.00
LogP ≤ 512.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2,5-diphenyl-1H-imidazole;5-methyl-2,4-diphenyl-1H-imidazole
CID 67847310
5-methyl-4-(2-methylphenyl)-2-thiophen-2-yl-1H-imidazole
CID 142168744
5-(4-fluorophenyl)-2-thiophen-2-yl-1H-imidazole
CID 99963188
2-(5-methyl-2-phenyl-1H-imidazol-4-yl)pyrazine
CID 20684000
4-(4-chlorophenyl)-5-methyl-2-thiophen-3-yl-1H-imidazole
CID 71061934
5-naphthalen-1-yl-2-thiophen-3-yl-1H-imidazole
CID 71062081
N,N-dimethyl-4-(4-phenyl-5-thiophen-2-yl-1H-imidazol-2-yl)aniline
CID 712255
2-(4-methylsulfanylphenyl)-4-phenyl-5-thiophen-2-yl-1H-imidazole
CID 950258
2-(4-chlorophenyl)-4-phenyl-5-thiophen-2-yl-1H-imidazole
CID 3734578
ethane;5-methyl-2-phenyl-1H-imidazole
CID 145236732
2,5-diphenyl-1H-imidazole;1H-pyrrole
CID 174802105
5-(4-tert-butylphenyl)-2-phenyl-1H-imidazole
CID 174633660

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,4-dithiophen-2-yl-1H-imidazole;5-methyl-2-phenyl-4-thiophen-2-yl-1H-imidazole;2-phenyl-5-thiophen-3-yl-1H-imidazole?
The IUPAC name of 5-methyl-2,4-dithiophen-2-yl-1H-imidazole;5-methyl-2-phenyl-4-thiophen-2-yl-1H-imidazole;2-phenyl-5-thiophen-3-yl-1H-imidazole (CID 158507989) is 5-methyl-2,4-dithiophen-2-yl-1H-imidazole;5-methyl-2-phenyl-4-thiophen-2-yl-1H-imidazole;2-phenyl-5-thiophen-3-yl-1H-imidazole.
What is the SMILES notation for 5-methyl-2,4-dithiophen-2-yl-1H-imidazole;5-methyl-2-phenyl-4-thiophen-2-yl-1H-imidazole;2-phenyl-5-thiophen-3-yl-1H-imidazole?
The canonical SMILES for 5-methyl-2,4-dithiophen-2-yl-1H-imidazole;5-methyl-2-phenyl-4-thiophen-2-yl-1H-imidazole;2-phenyl-5-thiophen-3-yl-1H-imidazole is Cc1[nH]c(-c2ccccc2)nc1-c1cccs1.Cc1[nH]c(-c2cccs2)nc1-c1cccs1.c1ccc(-c2ncc(-c3ccsc3)[nH]2)cc1.
What is the InChIKey of 5-methyl-2,4-dithiophen-2-yl-1H-imidazole;5-methyl-2-phenyl-4-thiophen-2-yl-1H-imidazole;2-phenyl-5-thiophen-3-yl-1H-imidazole?
The InChIKey is HKRQIIMIGJYYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2S.C13H10N2S.C12H10N2S2/c1-10-13(12-8-5-9-17-12)16-14(15-10)11-6-3-2-4-7-11;1-2-4-10(5-3-1)13-14-8-12(15-13)11-6-7-16-9-11;1-8-11(9-4-2-6-15-9)14-12(13-8)10-5-3-7-16-10/h2-9H,1H3,(H,15,16);1-9H,(H,14,15);2-7H,1H3,(H,13,14).
What are the key properties of 5-methyl-2,4-dithiophen-2-yl-1H-imidazole;5-methyl-2-phenyl-4-thiophen-2-yl-1H-imidazole;2-phenyl-5-thiophen-3-yl-1H-imidazole?
5-methyl-2,4-dithiophen-2-yl-1H-imidazole;5-methyl-2-phenyl-4-thiophen-2-yl-1H-imidazole;2-phenyl-5-thiophen-3-yl-1H-imidazole has a molecular weight of 713.00 g/mol, XLogP of 12.09, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,4-dithiophen-2-yl-1H-imidazole;5-methyl-2-phenyl-4-thiophen-2-yl-1H-imidazole;2-phenyl-5-thiophen-3-yl-1H-imidazole is sourced from PubChem (CID 158507989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).