1-[(2-methoxyphenyl)methyl]-2-thiophen-2-ylbenzimidazole

C19H16N2OS — CID 17000268

IUPAC1-[(2-methoxyphenyl)methyl]-2-thiophen-2-ylbenzimidazole
SMILESCOc1ccccc1Cn1c(-c2cccs2)nc2ccccc21
InChIInChI=1S/C19H16N2OS/c1-22-17-10-5-2-7-14(17)13-21-16-9-4-3-8-15(16)20-19(21)18-11-6-12-23-18/h2-12H,13H2,1H3
InChIKeyHIKQCWVSAKSFJU-UHFFFAOYSA-N
MW320.42 g/mol
LogP4.82
Rot. Bonds4

About 1-[(2-methoxyphenyl)methyl]-2-thiophen-2-ylbenzimidazole

1-[(2-methoxyphenyl)methyl]-2-thiophen-2-ylbenzimidazole (PubChem CID 17000268) has the molecular formula C19H16N2OS and a molecular weight of 320.42 g/mol. Its IUPAC name is 1-[(2-methoxyphenyl)methyl]-2-thiophen-2-ylbenzimidazole.

Molecular Properties

Compound Name1-[(2-methoxyphenyl)methyl]-2-thiophen-2-ylbenzimidazole
PubChem CID17000268
Molecular FormulaC19H16N2OS
Molecular Weight320.42 g/mol
Exact Mass320.10
IUPAC Name1-[(2-methoxyphenyl)methyl]-2-thiophen-2-ylbenzimidazole
SMILESCOc1ccccc1Cn1c(-c2cccs2)nc2ccccc21
InChIInChI=1S/C19H16N2OS/c1-22-17-10-5-2-7-14(17)13-21-16-9-4-3-8-15(16)20-19(21)18-11-6-12-23-18/h2-12H,13H2,1H3
InChIKeyHIKQCWVSAKSFJU-UHFFFAOYSA-N
XLogP4.82
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-methoxyphenyl)methyl]-2-methylbenzimidazole
CID 940002
1-[4-(2-methylphenoxy)butyl]-2-thiophen-2-ylbenzimidazole
CID 4230135
1-(naphthalen-2-ylmethyl)-2-thiophen-2-ylbenzimidazole
CID 4305398
1-(2-bromoprop-2-enyl)-2-thiophen-2-ylbenzimidazole
CID 830206
1-[(2-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)methyl]benzimidazole
CID 16995895
1-[(2-methoxyphenyl)methyl]-2-[(4-methylphenoxy)methyl]benzimidazole
CID 16998195
(1R)-1-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethanol
CID 755584
1-[(3-chlorophenyl)methyl]-2-thiophen-2-ylbenzimidazole
CID 4227677
1-[(4-butan-2-ylphenyl)methyl]-2-thiophen-2-ylbenzimidazole
CID 17000265
10-[(2-methoxyphenyl)methyl]benzo[g]pteridine-2,4-dione
CID 91937758
1-[(E)-3-phenylprop-2-enyl]-2-thiophen-2-ylbenzimidazole
CID 17000270
1-methyl-2-thiophen-2-ylbenzimidazole
CID 931177

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxyphenyl)methyl]-2-thiophen-2-ylbenzimidazole?
The IUPAC name of 1-[(2-methoxyphenyl)methyl]-2-thiophen-2-ylbenzimidazole (CID 17000268) is 1-[(2-methoxyphenyl)methyl]-2-thiophen-2-ylbenzimidazole.
What is the SMILES notation for 1-[(2-methoxyphenyl)methyl]-2-thiophen-2-ylbenzimidazole?
The canonical SMILES for 1-[(2-methoxyphenyl)methyl]-2-thiophen-2-ylbenzimidazole is COc1ccccc1Cn1c(-c2cccs2)nc2ccccc21.
What is the InChIKey of 1-[(2-methoxyphenyl)methyl]-2-thiophen-2-ylbenzimidazole?
The InChIKey is HIKQCWVSAKSFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2OS/c1-22-17-10-5-2-7-14(17)13-21-16-9-4-3-8-15(16)20-19(21)18-11-6-12-23-18/h2-12H,13H2,1H3.
What are the key properties of 1-[(2-methoxyphenyl)methyl]-2-thiophen-2-ylbenzimidazole?
1-[(2-methoxyphenyl)methyl]-2-thiophen-2-ylbenzimidazole has a molecular weight of 320.42 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxyphenyl)methyl]-2-thiophen-2-ylbenzimidazole is sourced from PubChem (CID 17000268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).