4-[7-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;methane

C19H22N4OS — CID 159241514

IUPAC4-[7-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;methane
SMILESC.Cc1nc2c(-c3sc(C)nc3C)cc(-c3c(C)noc3C)cc2[nH]1
InChIInChI=1S/C18H18N4OS.CH4/c1-8-16(10(3)23-22-8)13-6-14(18-9(2)19-12(5)24-18)17-15(7-13)20-11(4)21-17;/h6-7H,1-5H3,(H,20,21);1H4
InChIKeyKUDTZAXMMHOPNA-UHFFFAOYSA-N
MW354.48 g/mol
LogP5.52
Rot. Bonds2

About 4-[7-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;methane

4-[7-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;methane (PubChem CID 159241514) has the molecular formula C19H22N4OS and a molecular weight of 354.48 g/mol. Its IUPAC name is 4-[7-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;methane.

Molecular Properties

Compound Name4-[7-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;methane
PubChem CID159241514
Molecular FormulaC19H22N4OS
Molecular Weight354.48 g/mol
Exact Mass354.15
IUPAC Name4-[7-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;methane
SMILESC.Cc1nc2c(-c3sc(C)nc3C)cc(-c3c(C)noc3C)cc2[nH]1
InChIInChI=1S/C18H18N4OS.CH4/c1-8-16(10(3)23-22-8)13-6-14(18-9(2)19-12(5)24-18)17-15(7-13)20-11(4)21-17;/h6-7H,1-5H3,(H,20,21);1H4
InChIKeyKUDTZAXMMHOPNA-UHFFFAOYSA-N
XLogP5.52
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.48
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methyl-1H-benzimidazol-4-yl]-2,4-dimethyl-1,3-thiazole
CID 121434475
3,5-dimethyl-4-[2-methyl-7-(3-methyl-1,2-thiazol-4-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;methane
CID 159721268
methane;4-[7-(4-methoxy-3-pyridinyl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
CID 158678498
4-[2-cyclopropyl-7-(2,4-dimethyl-1,3-thiazol-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-(2-cyclopropyl-7-iodo-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;2,4-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole;ethane;methane
CID 160710886
4-[7-(2-ethoxy-3-pyridinyl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;methane
CID 158037863
4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-dimethyl-1H-benzimidazol-2-amine
CID 121293110
3,5-dimethyl-4-[2-methyl-7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;4-(7-iodo-2-methyl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole
CID 159395312
CID 159367437
CID 159367437
3,5-dimethyl-4-[2-methylsulfinyl-7-(1,3,5-trimethylpyrazol-4-yl)-3H-benzimidazol-5-yl]-1,2-oxazole
CID 121293113
4-[4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]morpholine
CID 121292971
1-[4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]piperidin-4-amine
CID 121441424
3-[2-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-4-methylbenzonitrile
CID 121442754

Frequently Asked Questions

What is the IUPAC name of 4-[7-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;methane?
The IUPAC name of 4-[7-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;methane (CID 159241514) is 4-[7-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;methane.
What is the SMILES notation for 4-[7-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;methane?
The canonical SMILES for 4-[7-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;methane is C.Cc1nc2c(-c3sc(C)nc3C)cc(-c3c(C)noc3C)cc2[nH]1.
What is the InChIKey of 4-[7-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;methane?
The InChIKey is KUDTZAXMMHOPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4OS.CH4/c1-8-16(10(3)23-22-8)13-6-14(18-9(2)19-12(5)24-18)17-15(7-13)20-11(4)21-17;/h6-7H,1-5H3,(H,20,21);1H4.
What are the key properties of 4-[7-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;methane?
4-[7-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;methane has a molecular weight of 354.48 g/mol, XLogP of 5.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;methane is sourced from PubChem (CID 159241514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).