2-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-methylthiophen-3-amine

C14H15N3S — CID 114915474

IUPAC2-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-methylthiophen-3-amine
SMILESCc1cc2nc(-c3scc(C)c3N)[nH]c2cc1C
InChIInChI=1S/C14H15N3S/c1-7-4-10-11(5-8(7)2)17-14(16-10)13-12(15)9(3)6-18-13/h4-6H,15H2,1-3H3,(H,16,17)
InChIKeyXZRRFMHKWGAOLY-UHFFFAOYSA-N
MW257.36 g/mol
LogP3.80
Rot. Bonds1

About 2-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-methylthiophen-3-amine

2-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-methylthiophen-3-amine (PubChem CID 114915474) has the molecular formula C14H15N3S and a molecular weight of 257.36 g/mol. Its IUPAC name is 2-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-methylthiophen-3-amine.

Molecular Properties

Compound Name2-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-methylthiophen-3-amine
PubChem CID114915474
Molecular FormulaC14H15N3S
Molecular Weight257.36 g/mol
Exact Mass257.10
IUPAC Name2-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-methylthiophen-3-amine
SMILESCc1cc2nc(-c3scc(C)c3N)[nH]c2cc1C
InChIInChI=1S/C14H15N3S/c1-7-4-10-11(5-8(7)2)17-14(16-10)13-12(15)9(3)6-18-13/h4-6H,15H2,1-3H3,(H,16,17)
InChIKeyXZRRFMHKWGAOLY-UHFFFAOYSA-N
XLogP3.80
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-2-(1,6,7,8-tetrahydro-[1,4]dioxepino[2,3-f]benzimidazol-2-yl)thiophen-3-amine
CID 114915428
2-(3-bromothiophen-2-yl)-5,6-dimethyl-1H-benzimidazole
CID 63796925
4-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline
CID 14641349
5-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylbenzene-1,3-diamine
CID 56736956
2-(3-chloro-4-methylthiophen-2-yl)-5,6-difluoro-1H-benzimidazole
CID 103402837
2,4-dibromo-6-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline
CID 63495096
3-(5,6-dimethyl-1H-benzimidazol-2-yl)-4,5-dimethylthiophen-2-amine
CID 62336559
2-chloro-6-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline
CID 107049902
2-(3-chloro-4-methylthiophen-2-yl)-6-methyl-1H-benzimidazole
CID 103402830
4-(5,6-dimethyl-1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine
CID 135486035
2-(3-methylthiophen-2-yl)-3H-benzimidazol-5-amine
CID 24695739
4-(5,6-dimethyl-1H-benzimidazol-2-yl)-3-fluoroaniline
CID 107793624

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-methylthiophen-3-amine?
The IUPAC name of 2-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-methylthiophen-3-amine (CID 114915474) is 2-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-methylthiophen-3-amine.
What is the SMILES notation for 2-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-methylthiophen-3-amine?
The canonical SMILES for 2-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-methylthiophen-3-amine is Cc1cc2nc(-c3scc(C)c3N)[nH]c2cc1C.
What is the InChIKey of 2-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-methylthiophen-3-amine?
The InChIKey is XZRRFMHKWGAOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3S/c1-7-4-10-11(5-8(7)2)17-14(16-10)13-12(15)9(3)6-18-13/h4-6H,15H2,1-3H3,(H,16,17).
What are the key properties of 2-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-methylthiophen-3-amine?
2-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-methylthiophen-3-amine has a molecular weight of 257.36 g/mol, XLogP of 3.80, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-methylthiophen-3-amine is sourced from PubChem (CID 114915474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).