2-[2-(2,3-dimethyl-1-benzothiophen-7-yl)imidazol-1-yl]-5-methylpyrimidine

C18H16N4S — CID 159217873

IUPAC2-[2-(2,3-dimethyl-1-benzothiophen-7-yl)imidazol-1-yl]-5-methylpyrimidine
SMILESCc1cnc(-n2ccnc2-c2cccc3c(C)c(C)sc23)nc1
InChIInChI=1S/C18H16N4S/c1-11-9-20-18(21-10-11)22-8-7-19-17(22)15-6-4-5-14-12(2)13(3)23-16(14)15/h4-10H,1-3H3
InChIKeyHZWFXVQXLDMNBB-UHFFFAOYSA-N
MW320.42 g/mol
LogP4.47
Rot. Bonds2

About 2-[2-(2,3-dimethyl-1-benzothiophen-7-yl)imidazol-1-yl]-5-methylpyrimidine

2-[2-(2,3-dimethyl-1-benzothiophen-7-yl)imidazol-1-yl]-5-methylpyrimidine (PubChem CID 159217873) has the molecular formula C18H16N4S and a molecular weight of 320.42 g/mol. Its IUPAC name is 2-[2-(2,3-dimethyl-1-benzothiophen-7-yl)imidazol-1-yl]-5-methylpyrimidine.

Molecular Properties

Compound Name2-[2-(2,3-dimethyl-1-benzothiophen-7-yl)imidazol-1-yl]-5-methylpyrimidine
PubChem CID159217873
Molecular FormulaC18H16N4S
Molecular Weight320.42 g/mol
Exact Mass320.11
IUPAC Name2-[2-(2,3-dimethyl-1-benzothiophen-7-yl)imidazol-1-yl]-5-methylpyrimidine
SMILESCc1cnc(-n2ccnc2-c2cccc3c(C)c(C)sc23)nc1
InChIInChI=1S/C18H16N4S/c1-11-9-20-18(21-10-11)22-8-7-19-17(22)15-6-4-5-14-12(2)13(3)23-16(14)15/h4-10H,1-3H3
InChIKeyHZWFXVQXLDMNBB-UHFFFAOYSA-N
XLogP4.47
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,3-dimethyl-1-benzothiophen-7-yl)-1-(2,4,6-trimethylphenyl)imidazole
CID 159306749
5-methyl-2-(2-methylimidazol-1-yl)pyrimidine
CID 63811500
8-[6-[2-[6-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2-methyl-[1]benzothiolo[2,3-b]pyridine
CID 140742158
2-(2,3-dimethyl-[1]benzothiolo[7,6-b][1]benzofuran-9-yl)-4,5-dimethylpyridine
CID 168829258
2,3-dimethyl-7-methylsulfanyl-1-benzothiophene
CID 131075805
4-tert-butyl-2-(2,3-dimethyl-[1]benzothiolo[7,6-b][1]benzofuran-9-yl)-5-methylpyridine
CID 168829853
1-(2-dibenzothiophen-4-ylimidazol-1-yl)-3-methoxypropan-2-ol
CID 56862838
3-[1-(5-methyl-2-pyridinyl)imidazol-2-yl]aniline
CID 61176606
14-[1-(2,6-dimethylphenyl)imidazol-2-yl]-5,13-dimethyl-8,16-dithia-6-azatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),2(7),3,5,10(15),11,13-heptaene
CID 170120044
2-(1,2-dimethyl-[1]benzothiolo[5,6-b][1]benzofuran-8-yl)-5-methylpyridine
CID 168829951
[4-[3-chloro-4-(2-naphthalen-1-ylimidazol-1-yl)phenyl]-2-methylsulfonylphenyl]methanol
CID 141164474
2-(2-methoxyphenyl)-1-(4-methylphenyl)imidazole
CID 141122425

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dimethyl-1-benzothiophen-7-yl)imidazol-1-yl]-5-methylpyrimidine?
The IUPAC name of 2-[2-(2,3-dimethyl-1-benzothiophen-7-yl)imidazol-1-yl]-5-methylpyrimidine (CID 159217873) is 2-[2-(2,3-dimethyl-1-benzothiophen-7-yl)imidazol-1-yl]-5-methylpyrimidine.
What is the SMILES notation for 2-[2-(2,3-dimethyl-1-benzothiophen-7-yl)imidazol-1-yl]-5-methylpyrimidine?
The canonical SMILES for 2-[2-(2,3-dimethyl-1-benzothiophen-7-yl)imidazol-1-yl]-5-methylpyrimidine is Cc1cnc(-n2ccnc2-c2cccc3c(C)c(C)sc23)nc1.
What is the InChIKey of 2-[2-(2,3-dimethyl-1-benzothiophen-7-yl)imidazol-1-yl]-5-methylpyrimidine?
The InChIKey is HZWFXVQXLDMNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4S/c1-11-9-20-18(21-10-11)22-8-7-19-17(22)15-6-4-5-14-12(2)13(3)23-16(14)15/h4-10H,1-3H3.
What are the key properties of 2-[2-(2,3-dimethyl-1-benzothiophen-7-yl)imidazol-1-yl]-5-methylpyrimidine?
2-[2-(2,3-dimethyl-1-benzothiophen-7-yl)imidazol-1-yl]-5-methylpyrimidine has a molecular weight of 320.42 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dimethyl-1-benzothiophen-7-yl)imidazol-1-yl]-5-methylpyrimidine is sourced from PubChem (CID 159217873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).