1-(4-methoxyphenyl)-2-thiophen-3-ylbenzimidazole

C18H14N2OS — CID 57424026

IUPAC1-(4-methoxyphenyl)-2-thiophen-3-ylbenzimidazole
SMILESCOc1ccc(-n2c(-c3ccsc3)nc3ccccc32)cc1
InChIInChI=1S/C18H14N2OS/c1-21-15-8-6-14(7-9-15)20-17-5-3-2-4-16(17)19-18(20)13-10-11-22-12-13/h2-12H,1H3
InChIKeyHPLDXDRZCMPNFO-UHFFFAOYSA-N
MW306.39 g/mol
LogP4.76
Rot. Bonds3

About 1-(4-methoxyphenyl)-2-thiophen-3-ylbenzimidazole

1-(4-methoxyphenyl)-2-thiophen-3-ylbenzimidazole (PubChem CID 57424026) has the molecular formula C18H14N2OS and a molecular weight of 306.39 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-thiophen-3-ylbenzimidazole.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-thiophen-3-ylbenzimidazole
PubChem CID57424026
Molecular FormulaC18H14N2OS
Molecular Weight306.39 g/mol
Exact Mass306.08
IUPAC Name1-(4-methoxyphenyl)-2-thiophen-3-ylbenzimidazole
SMILESCOc1ccc(-n2c(-c3ccsc3)nc3ccccc32)cc1
InChIInChI=1S/C18H14N2OS/c1-21-15-8-6-14(7-9-15)20-17-5-3-2-4-16(17)19-18(20)13-10-11-22-12-13/h2-12H,1H3
InChIKeyHPLDXDRZCMPNFO-UHFFFAOYSA-N
XLogP4.76
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-thiophen-3-ylbenzimidazole?
The IUPAC name of 1-(4-methoxyphenyl)-2-thiophen-3-ylbenzimidazole (CID 57424026) is 1-(4-methoxyphenyl)-2-thiophen-3-ylbenzimidazole.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-thiophen-3-ylbenzimidazole?
The canonical SMILES for 1-(4-methoxyphenyl)-2-thiophen-3-ylbenzimidazole is COc1ccc(-n2c(-c3ccsc3)nc3ccccc32)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-thiophen-3-ylbenzimidazole?
The InChIKey is HPLDXDRZCMPNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2OS/c1-21-15-8-6-14(7-9-15)20-17-5-3-2-4-16(17)19-18(20)13-10-11-22-12-13/h2-12H,1H3.
What are the key properties of 1-(4-methoxyphenyl)-2-thiophen-3-ylbenzimidazole?
1-(4-methoxyphenyl)-2-thiophen-3-ylbenzimidazole has a molecular weight of 306.39 g/mol, XLogP of 4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-thiophen-3-ylbenzimidazole is sourced from PubChem (CID 57424026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).