4-(thiophen-2-ylmethoxy)-1H-benzimidazole

C12H10N2OS — CID 54293133

IUPAC4-(thiophen-2-ylmethoxy)-1H-benzimidazole
SMILESc1csc(COc2cccc3[nH]cnc23)c1
InChIInChI=1S/C12H10N2OS/c1-4-10-12(14-8-13-10)11(5-1)15-7-9-3-2-6-16-9/h1-6,8H,7H2,(H,13,14)
InChIKeyKDGWTQZSRVFTKI-UHFFFAOYSA-N
MW230.29 g/mol
LogP3.20
Rot. Bonds3

About 4-(thiophen-2-ylmethoxy)-1H-benzimidazole

4-(thiophen-2-ylmethoxy)-1H-benzimidazole (PubChem CID 54293133) has the molecular formula C12H10N2OS and a molecular weight of 230.29 g/mol. Its IUPAC name is 4-(thiophen-2-ylmethoxy)-1H-benzimidazole.

Molecular Properties

Compound Name4-(thiophen-2-ylmethoxy)-1H-benzimidazole
PubChem CID54293133
Molecular FormulaC12H10N2OS
Molecular Weight230.29 g/mol
Exact Mass230.05
IUPAC Name4-(thiophen-2-ylmethoxy)-1H-benzimidazole
SMILESc1csc(COc2cccc3[nH]cnc23)c1
InChIInChI=1S/C12H10N2OS/c1-4-10-12(14-8-13-10)11(5-1)15-7-9-3-2-6-16-9/h1-6,8H,7H2,(H,13,14)
InChIKeyKDGWTQZSRVFTKI-UHFFFAOYSA-N
XLogP3.20
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1H-benzimidazol-4-yloxy)-N-(thiophen-2-ylmethyl)ethanamine;dihydrochloride
CID 23291473
2-(1H-benzimidazol-4-yloxy)-N-(thiophen-2-ylmethyl)ethanamine;tetrahydrate
CID 142643859
2-(1H-benzimidazol-4-yloxy)ethanol
CID 70333523
2-bromo-3-(thiophen-2-ylmethoxy)pyridine
CID 65101746
2-[(2-methoxyphenoxy)methyl]thiophene
CID 174917989
O-(1H-benzimidazol-4-ylmethyl)hydroxylamine
CID 117276188
2-methyl-3-(thiophen-2-ylmethoxy)benzoic acid
CID 82826727
4-(thiophen-2-ylmethoxy)-1,2-thiazole
CID 54266344
2-[(2-methoxy-4,5-dimethylphenoxy)methyl]thiophene
CID 59921100
2-methyl-N-[[2-(thiophen-2-ylmethoxy)phenyl]methyl]tetrazol-5-amine
CID 19644544
2-[(2,5-dimethylphenoxy)methyl]thiophene
CID 112725392
5-(thiophen-2-ylmethoxy)-1H-indole
CID 18797477

Frequently Asked Questions

What is the IUPAC name of 4-(thiophen-2-ylmethoxy)-1H-benzimidazole?
The IUPAC name of 4-(thiophen-2-ylmethoxy)-1H-benzimidazole (CID 54293133) is 4-(thiophen-2-ylmethoxy)-1H-benzimidazole.
What is the SMILES notation for 4-(thiophen-2-ylmethoxy)-1H-benzimidazole?
The canonical SMILES for 4-(thiophen-2-ylmethoxy)-1H-benzimidazole is c1csc(COc2cccc3[nH]cnc23)c1.
What is the InChIKey of 4-(thiophen-2-ylmethoxy)-1H-benzimidazole?
The InChIKey is KDGWTQZSRVFTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2OS/c1-4-10-12(14-8-13-10)11(5-1)15-7-9-3-2-6-16-9/h1-6,8H,7H2,(H,13,14).
What are the key properties of 4-(thiophen-2-ylmethoxy)-1H-benzimidazole?
4-(thiophen-2-ylmethoxy)-1H-benzimidazole has a molecular weight of 230.29 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(thiophen-2-ylmethoxy)-1H-benzimidazole is sourced from PubChem (CID 54293133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).