4-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]-1,3-thiazole

C18H15N3OS — CID 122179929

IUPAC4-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]-1,3-thiazole
SMILESCOc1ccc(Cn2c(-c3cscn3)nc3ccccc32)cc1
InChIInChI=1S/C18H15N3OS/c1-22-14-8-6-13(7-9-14)10-21-17-5-3-2-4-15(17)20-18(21)16-11-23-12-19-16/h2-9,11-12H,10H2,1H3
InChIKeyGUVOANIZMJBYDD-UHFFFAOYSA-N
MW321.41 g/mol
LogP4.22
Rot. Bonds4

About 4-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]-1,3-thiazole

4-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]-1,3-thiazole (PubChem CID 122179929) has the molecular formula C18H15N3OS and a molecular weight of 321.41 g/mol. Its IUPAC name is 4-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]-1,3-thiazole
PubChem CID122179929
Molecular FormulaC18H15N3OS
Molecular Weight321.41 g/mol
Exact Mass321.09
IUPAC Name4-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]-1,3-thiazole
SMILESCOc1ccc(Cn2c(-c3cscn3)nc3ccccc32)cc1
InChIInChI=1S/C18H15N3OS/c1-22-14-8-6-13(7-9-14)10-21-17-5-3-2-4-15(17)20-18(21)16-11-23-12-19-16/h2-9,11-12H,10H2,1H3
InChIKeyGUVOANIZMJBYDD-UHFFFAOYSA-N
XLogP4.22
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]-1,3-thiazole?
The IUPAC name of 4-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]-1,3-thiazole (CID 122179929) is 4-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]-1,3-thiazole.
What is the SMILES notation for 4-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]-1,3-thiazole?
The canonical SMILES for 4-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]-1,3-thiazole is COc1ccc(Cn2c(-c3cscn3)nc3ccccc32)cc1.
What is the InChIKey of 4-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]-1,3-thiazole?
The InChIKey is GUVOANIZMJBYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3OS/c1-22-14-8-6-13(7-9-14)10-21-17-5-3-2-4-15(17)20-18(21)16-11-23-12-19-16/h2-9,11-12H,10H2,1H3.
What are the key properties of 4-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]-1,3-thiazole?
4-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]-1,3-thiazole has a molecular weight of 321.41 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]-1,3-thiazole is sourced from PubChem (CID 122179929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).