4-(benzimidazol-1-ylmethyl)-2-thiophen-2-yl-1,3-oxazole

C15H11N3OS — CID 17404827

IUPAC4-(benzimidazol-1-ylmethyl)-2-thiophen-2-yl-1,3-oxazole
SMILESc1csc(-c2nc(Cn3cnc4ccccc43)co2)c1
InChIInChI=1S/C15H11N3OS/c1-2-5-13-12(4-1)16-10-18(13)8-11-9-19-15(17-11)14-6-3-7-20-14/h1-7,9-10H,8H2
InChIKeyWGEYMZIHKMVSPC-UHFFFAOYSA-N
MW281.34 g/mol
LogP3.80
Rot. Bonds3

About 4-(benzimidazol-1-ylmethyl)-2-thiophen-2-yl-1,3-oxazole

4-(benzimidazol-1-ylmethyl)-2-thiophen-2-yl-1,3-oxazole (PubChem CID 17404827) has the molecular formula C15H11N3OS and a molecular weight of 281.34 g/mol. Its IUPAC name is 4-(benzimidazol-1-ylmethyl)-2-thiophen-2-yl-1,3-oxazole.

Molecular Properties

Compound Name4-(benzimidazol-1-ylmethyl)-2-thiophen-2-yl-1,3-oxazole
PubChem CID17404827
Molecular FormulaC15H11N3OS
Molecular Weight281.34 g/mol
Exact Mass281.06
IUPAC Name4-(benzimidazol-1-ylmethyl)-2-thiophen-2-yl-1,3-oxazole
SMILESc1csc(-c2nc(Cn3cnc4ccccc43)co2)c1
InChIInChI=1S/C15H11N3OS/c1-2-5-13-12(4-1)16-10-18(13)8-11-9-19-15(17-11)14-6-3-7-20-14/h1-7,9-10H,8H2
InChIKeyWGEYMZIHKMVSPC-UHFFFAOYSA-N
XLogP3.80
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[1-[(2-Thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzimidazol-2-yl]amino]ethanol
CID 51072391
5-methyl-2-(5-methyl-2-thienyl)-4-[(2-propyl-1H-imidazol-1-yl)methyl]-1,3-oxazole
CID 56755102
1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]spiro[6,7-dihydro-5H-imidazo[4,5-c]pyridine-4,4'-oxane]
CID 164640142
2-methoxy-5-{2-[5-methyl-2-(2-thienyl)-1,3-oxazol-4-yl]-1H-imidazol-1-yl}pyridine
CID 56914035
2-(Furan-2-yl)-1-(2-thiophen-2-ylethynyl)benzimidazole
CID 141742001
4-[[4-(2-Fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-thiophen-2-yl-1,3-oxazole
CID 16393403
(5-Methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate
CID 17571458
(5-Methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxylate
CID 22830622
4-[(5,6-Difluorobenzimidazol-1-yl)methyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole
CID 24246701
(2-Thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate
CID 24382724
3-(4-fluorophenyl)-2-methylsulfanyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazole-4-carboxamide
CID 24645057
(2-Thiophen-2-yl-1,3-oxazol-4-yl)methyl 3-(4-fluorophenyl)imidazole-4-carboxylate
CID 29553369

Frequently Asked Questions

What is the IUPAC name of 4-(benzimidazol-1-ylmethyl)-2-thiophen-2-yl-1,3-oxazole?
The IUPAC name of 4-(benzimidazol-1-ylmethyl)-2-thiophen-2-yl-1,3-oxazole (CID 17404827) is 4-(benzimidazol-1-ylmethyl)-2-thiophen-2-yl-1,3-oxazole.
What is the SMILES notation for 4-(benzimidazol-1-ylmethyl)-2-thiophen-2-yl-1,3-oxazole?
The canonical SMILES for 4-(benzimidazol-1-ylmethyl)-2-thiophen-2-yl-1,3-oxazole is c1csc(-c2nc(Cn3cnc4ccccc43)co2)c1.
What is the InChIKey of 4-(benzimidazol-1-ylmethyl)-2-thiophen-2-yl-1,3-oxazole?
The InChIKey is WGEYMZIHKMVSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3OS/c1-2-5-13-12(4-1)16-10-18(13)8-11-9-19-15(17-11)14-6-3-7-20-14/h1-7,9-10H,8H2.
What are the key properties of 4-(benzimidazol-1-ylmethyl)-2-thiophen-2-yl-1,3-oxazole?
4-(benzimidazol-1-ylmethyl)-2-thiophen-2-yl-1,3-oxazole has a molecular weight of 281.34 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzimidazol-1-ylmethyl)-2-thiophen-2-yl-1,3-oxazole is sourced from PubChem (CID 17404827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).