4,6-dimethyl-2-(thiophen-3-ylmethyl)-1H-benzimidazole

C14H14N2S — CID 82947484

IUPAC4,6-dimethyl-2-(thiophen-3-ylmethyl)-1H-benzimidazole
SMILESCc1cc(C)c2nc(Cc3ccsc3)[nH]c2c1
InChIInChI=1S/C14H14N2S/c1-9-5-10(2)14-12(6-9)15-13(16-14)7-11-3-4-17-8-11/h3-6,8H,7H2,1-2H3,(H,15,16)
InChIKeyPTDSHRIJPCVPNT-UHFFFAOYSA-N
MW242.35 g/mol
LogP3.83
Rot. Bonds2

About 4,6-dimethyl-2-(thiophen-3-ylmethyl)-1H-benzimidazole

4,6-dimethyl-2-(thiophen-3-ylmethyl)-1H-benzimidazole (PubChem CID 82947484) has the molecular formula C14H14N2S and a molecular weight of 242.35 g/mol. Its IUPAC name is 4,6-dimethyl-2-(thiophen-3-ylmethyl)-1H-benzimidazole.

Molecular Properties

Compound Name4,6-dimethyl-2-(thiophen-3-ylmethyl)-1H-benzimidazole
PubChem CID82947484
Molecular FormulaC14H14N2S
Molecular Weight242.35 g/mol
Exact Mass242.09
IUPAC Name4,6-dimethyl-2-(thiophen-3-ylmethyl)-1H-benzimidazole
SMILESCc1cc(C)c2nc(Cc3ccsc3)[nH]c2c1
InChIInChI=1S/C14H14N2S/c1-9-5-10(2)14-12(6-9)15-13(16-14)7-11-3-4-17-8-11/h3-6,8H,7H2,1-2H3,(H,15,16)
InChIKeyPTDSHRIJPCVPNT-UHFFFAOYSA-N
XLogP3.83
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,6-dimethyl-2-[(2-methylphenyl)methyl]-1H-benzimidazole
CID 82947392
2-[(3-chlorophenyl)methyl]-4,6-dimethyl-1H-benzimidazole
CID 82946873
2-(methoxymethyl)-4,6-dimethyl-1H-benzimidazole
CID 82946869
2-(chloromethyl)-4,6-dimethyl-1H-benzimidazole
CID 82007491
4,6-dimethyl-2-(phenoxymethyl)-1H-benzimidazole
CID 82947655
6-methoxy-2-(thiophen-3-ylmethyl)-1H-benzimidazole
CID 65017413
2-(4,6-dimethyl-1H-benzimidazol-2-yl)acetic acid
CID 3159719
2-(thiophen-3-ylmethyl)-1,6,7,8-tetrahydro-[1,4]dioxepino[2,3-f]benzimidazole
CID 43168733
2-(3-methoxypropyl)-4,6-dimethyl-1H-benzimidazole
CID 82946781
1-[(4,6-dimethyl-1H-benzimidazol-2-yl)methyl]cyclobutan-1-amine
CID 82947211
N-[2-(4,6-dimethyl-1H-benzimidazol-2-yl)ethyl]propan-2-amine
CID 82947806
4,6-dimethyl-2-[2-(3-methylphenoxy)ethyl]-1H-benzimidazole
CID 82940636

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-(thiophen-3-ylmethyl)-1H-benzimidazole?
The IUPAC name of 4,6-dimethyl-2-(thiophen-3-ylmethyl)-1H-benzimidazole (CID 82947484) is 4,6-dimethyl-2-(thiophen-3-ylmethyl)-1H-benzimidazole.
What is the SMILES notation for 4,6-dimethyl-2-(thiophen-3-ylmethyl)-1H-benzimidazole?
The canonical SMILES for 4,6-dimethyl-2-(thiophen-3-ylmethyl)-1H-benzimidazole is Cc1cc(C)c2nc(Cc3ccsc3)[nH]c2c1.
What is the InChIKey of 4,6-dimethyl-2-(thiophen-3-ylmethyl)-1H-benzimidazole?
The InChIKey is PTDSHRIJPCVPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2S/c1-9-5-10(2)14-12(6-9)15-13(16-14)7-11-3-4-17-8-11/h3-6,8H,7H2,1-2H3,(H,15,16).
What are the key properties of 4,6-dimethyl-2-(thiophen-3-ylmethyl)-1H-benzimidazole?
4,6-dimethyl-2-(thiophen-3-ylmethyl)-1H-benzimidazole has a molecular weight of 242.35 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-(thiophen-3-ylmethyl)-1H-benzimidazole is sourced from PubChem (CID 82947484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).