1-[(4-butan-2-ylphenyl)methyl]-2-thiophen-2-ylbenzimidazole

C22H22N2S — CID 17000265

IUPAC1-[(4-butan-2-ylphenyl)methyl]-2-thiophen-2-ylbenzimidazole
SMILESCCC(C)c1ccc(Cn2c(-c3cccs3)nc3ccccc32)cc1
InChIInChI=1S/C22H22N2S/c1-3-16(2)18-12-10-17(11-13-18)15-24-20-8-5-4-7-19(20)23-22(24)21-9-6-14-25-21/h4-14,16H,3,15H2,1-2H3
InChIKeyMKZYGFCONBOEIB-UHFFFAOYSA-N
MW346.50 g/mol
LogP6.33
Rot. Bonds5

About 1-[(4-butan-2-ylphenyl)methyl]-2-thiophen-2-ylbenzimidazole

1-[(4-butan-2-ylphenyl)methyl]-2-thiophen-2-ylbenzimidazole (PubChem CID 17000265) has the molecular formula C22H22N2S and a molecular weight of 346.50 g/mol. Its IUPAC name is 1-[(4-butan-2-ylphenyl)methyl]-2-thiophen-2-ylbenzimidazole.

Molecular Properties

Compound Name1-[(4-butan-2-ylphenyl)methyl]-2-thiophen-2-ylbenzimidazole
PubChem CID17000265
Molecular FormulaC22H22N2S
Molecular Weight346.50 g/mol
Exact Mass346.15
IUPAC Name1-[(4-butan-2-ylphenyl)methyl]-2-thiophen-2-ylbenzimidazole
SMILESCCC(C)c1ccc(Cn2c(-c3cccs3)nc3ccccc32)cc1
InChIInChI=1S/C22H22N2S/c1-3-16(2)18-12-10-17(11-13-18)15-24-20-8-5-4-7-19(20)23-22(24)21-9-6-14-25-21/h4-14,16H,3,15H2,1-2H3
InChIKeyMKZYGFCONBOEIB-UHFFFAOYSA-N
XLogP6.33
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.50
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-butan-2-ylphenyl)methyl]-2-(furan-2-yl)benzimidazole
CID 17000154
1-(naphthalen-2-ylmethyl)-2-thiophen-2-ylbenzimidazole
CID 4305398
1-[(3-chlorophenyl)methyl]-2-thiophen-2-ylbenzimidazole
CID 4227677
1-[(4-butan-2-ylphenyl)methyl]-2-[(E)-2-phenylethenyl]benzimidazole
CID 16999559
N-[5-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]pentyl]thiophene-2-carboxamide
CID 16994814
1-[2-(4-propan-2-ylphenoxy)ethyl]-2-thiophen-2-ylbenzimidazole
CID 17000289
4-[1-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]morpholine
CID 18885134
1-[(4-butan-2-ylphenyl)methyl]-2-[(4-ethylphenoxy)methyl]benzimidazole
CID 16998333
N-[[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]methyl]propanamide
CID 17006059
1-[(2-methoxyphenyl)methyl]-2-thiophen-2-ylbenzimidazole
CID 17000268
N-[1-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]propanamide
CID 16968587
N-[1-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 16967495

Frequently Asked Questions

What is the IUPAC name of 1-[(4-butan-2-ylphenyl)methyl]-2-thiophen-2-ylbenzimidazole?
The IUPAC name of 1-[(4-butan-2-ylphenyl)methyl]-2-thiophen-2-ylbenzimidazole (CID 17000265) is 1-[(4-butan-2-ylphenyl)methyl]-2-thiophen-2-ylbenzimidazole.
What is the SMILES notation for 1-[(4-butan-2-ylphenyl)methyl]-2-thiophen-2-ylbenzimidazole?
The canonical SMILES for 1-[(4-butan-2-ylphenyl)methyl]-2-thiophen-2-ylbenzimidazole is CCC(C)c1ccc(Cn2c(-c3cccs3)nc3ccccc32)cc1.
What is the InChIKey of 1-[(4-butan-2-ylphenyl)methyl]-2-thiophen-2-ylbenzimidazole?
The InChIKey is MKZYGFCONBOEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2S/c1-3-16(2)18-12-10-17(11-13-18)15-24-20-8-5-4-7-19(20)23-22(24)21-9-6-14-25-21/h4-14,16H,3,15H2,1-2H3.
What are the key properties of 1-[(4-butan-2-ylphenyl)methyl]-2-thiophen-2-ylbenzimidazole?
1-[(4-butan-2-ylphenyl)methyl]-2-thiophen-2-ylbenzimidazole has a molecular weight of 346.50 g/mol, XLogP of 6.33, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-butan-2-ylphenyl)methyl]-2-thiophen-2-ylbenzimidazole is sourced from PubChem (CID 17000265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).