4,5-dimethyl-3-(4-methylsulfonyl-1H-benzimidazol-2-yl)thiophen-2-amine

C14H15N3O2S2 — CID 82000693

IUPAC4,5-dimethyl-3-(4-methylsulfonyl-1H-benzimidazol-2-yl)thiophen-2-amine
SMILESCc1sc(N)c(-c2nc3c(S(C)(=O)=O)cccc3[nH]2)c1C
InChIInChI=1S/C14H15N3O2S2/c1-7-8(2)20-13(15)11(7)14-16-9-5-4-6-10(12(9)17-14)21(3,18)19/h4-6H,15H2,1-3H3,(H,16,17)
InChIKeyFMIOMFAZQQKXBR-UHFFFAOYSA-N
MW321.43 g/mol
LogP2.89
Rot. Bonds2

About 4,5-dimethyl-3-(4-methylsulfonyl-1H-benzimidazol-2-yl)thiophen-2-amine

4,5-dimethyl-3-(4-methylsulfonyl-1H-benzimidazol-2-yl)thiophen-2-amine (PubChem CID 82000693) has the molecular formula C14H15N3O2S2 and a molecular weight of 321.43 g/mol. Its IUPAC name is 4,5-dimethyl-3-(4-methylsulfonyl-1H-benzimidazol-2-yl)thiophen-2-amine.

Molecular Properties

Compound Name4,5-dimethyl-3-(4-methylsulfonyl-1H-benzimidazol-2-yl)thiophen-2-amine
PubChem CID82000693
Molecular FormulaC14H15N3O2S2
Molecular Weight321.43 g/mol
Exact Mass321.06
IUPAC Name4,5-dimethyl-3-(4-methylsulfonyl-1H-benzimidazol-2-yl)thiophen-2-amine
SMILESCc1sc(N)c(-c2nc3c(S(C)(=O)=O)cccc3[nH]2)c1C
InChIInChI=1S/C14H15N3O2S2/c1-7-8(2)20-13(15)11(7)14-16-9-5-4-6-10(12(9)17-14)21(3,18)19/h4-6H,15H2,1-3H3,(H,16,17)
InChIKeyFMIOMFAZQQKXBR-UHFFFAOYSA-N
XLogP2.89
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-methylsulfonyl-1H-benzimidazol-2-yl)benzene-1,3-diamine
CID 107811548
3-chloro-5-(4-methylsulfonyl-1H-benzimidazol-2-yl)aniline
CID 82000564
2-(5-bromothiophen-2-yl)-4-methylsulfonyl-1H-benzimidazole
CID 82007684
2-(4-methylsulfonyl-1H-benzimidazol-2-yl)pyridin-3-amine
CID 104740764
5-(4-methylsulfonyl-1H-benzimidazol-2-yl)pyridin-2-amine
CID 82007764
2-(6-methyl-3-pyridinyl)-4-methylsulfonyl-1H-benzimidazole
CID 82007857
4-methylsulfonyl-2-(methylsulfonylmethyl)-1H-benzimidazole
CID 82007940
4-methylsulfonyl-2-pyridazin-4-yl-1H-benzimidazole
CID 104671046
4-(4-methylsulfonyl-1H-benzimidazol-2-yl)benzonitrile
CID 82000837
3-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-4,5-dimethylthiophen-2-amine
CID 104574178
2-(3-methoxythiophen-2-yl)-4-methylsulfonyl-1H-benzimidazole
CID 82007938
3-(5,6-dimethyl-1H-benzimidazol-2-yl)-4,5-dimethylthiophen-2-amine
CID 62336559

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-3-(4-methylsulfonyl-1H-benzimidazol-2-yl)thiophen-2-amine?
The IUPAC name of 4,5-dimethyl-3-(4-methylsulfonyl-1H-benzimidazol-2-yl)thiophen-2-amine (CID 82000693) is 4,5-dimethyl-3-(4-methylsulfonyl-1H-benzimidazol-2-yl)thiophen-2-amine.
What is the SMILES notation for 4,5-dimethyl-3-(4-methylsulfonyl-1H-benzimidazol-2-yl)thiophen-2-amine?
The canonical SMILES for 4,5-dimethyl-3-(4-methylsulfonyl-1H-benzimidazol-2-yl)thiophen-2-amine is Cc1sc(N)c(-c2nc3c(S(C)(=O)=O)cccc3[nH]2)c1C.
What is the InChIKey of 4,5-dimethyl-3-(4-methylsulfonyl-1H-benzimidazol-2-yl)thiophen-2-amine?
The InChIKey is FMIOMFAZQQKXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S2/c1-7-8(2)20-13(15)11(7)14-16-9-5-4-6-10(12(9)17-14)21(3,18)19/h4-6H,15H2,1-3H3,(H,16,17).
What are the key properties of 4,5-dimethyl-3-(4-methylsulfonyl-1H-benzimidazol-2-yl)thiophen-2-amine?
4,5-dimethyl-3-(4-methylsulfonyl-1H-benzimidazol-2-yl)thiophen-2-amine has a molecular weight of 321.43 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-3-(4-methylsulfonyl-1H-benzimidazol-2-yl)thiophen-2-amine is sourced from PubChem (CID 82000693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).