1-methyl-2-thiophen-2-ylbenzimidazol-5-amine

C12H11N3S — CID 615219

IUPAC1-methyl-2-thiophen-2-ylbenzimidazol-5-amine
SMILESCn1c(-c2cccs2)nc2cc(N)ccc21
InChIInChI=1S/C12H11N3S/c1-15-10-5-4-8(13)7-9(10)14-12(15)11-3-2-6-16-11/h2-7H,13H2,1H3
InChIKeySERGHFHMIXGRGQ-UHFFFAOYSA-N
MW229.31 g/mol
LogP2.88
Rot. Bonds1

About 1-methyl-2-thiophen-2-ylbenzimidazol-5-amine

1-methyl-2-thiophen-2-ylbenzimidazol-5-amine (PubChem CID 615219) has the molecular formula C12H11N3S and a molecular weight of 229.31 g/mol. Its IUPAC name is 1-methyl-2-thiophen-2-ylbenzimidazol-5-amine.

Molecular Properties

Compound Name1-methyl-2-thiophen-2-ylbenzimidazol-5-amine
PubChem CID615219
Molecular FormulaC12H11N3S
Molecular Weight229.31 g/mol
Exact Mass229.07
IUPAC Name1-methyl-2-thiophen-2-ylbenzimidazol-5-amine
SMILESCn1c(-c2cccs2)nc2cc(N)ccc21
InChIInChI=1S/C12H11N3S/c1-15-10-5-4-8(13)7-9(10)14-12(15)11-3-2-6-16-11/h2-7H,13H2,1H3
InChIKeySERGHFHMIXGRGQ-UHFFFAOYSA-N
XLogP2.88
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.31
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(5-Methyl-2-thienyl)-1H-benzimidazole
CID 870214
2-(2-thienyl)-1H-benzimidazole
CID 506600
Agl 2043
CID 9817165
1-Methyl-2-thiophen-2-ylbenzimidazole
CID 931177
n-Methylthiabendazole
CID 612049
1-Isopropyl-2-thiophen-2-yl-1H-benzoimidazole
CID 949166
(1-Phenyl-1H-benzoimidazol-5-yl)-thiophen-2-ylmethyl-amine
CID 950037
1H-Benzimidazol-5-amine, 2-(4-thiazolyl)-
CID 134912
N-(1-propyl-5-benzimidazolyl)-2-thiophenecarboxamide
CID 828719
1,3-dimethyl-2-(2-thienyl)-1H-3,1-benzimidazol-3-ium chloride
CID 2866315
N-(2-(2-(Acetylamino)ethyl)-1-methyl-1H-benzimidazol-5-yl)-2-thiophenecarboxamide
CID 4971215
N-{1-methyl-2-[2-(propanoylamino)ethyl]-1H-benzimidazol-5-yl}thiophene-2-carboxamide
CID 6484089

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-thiophen-2-ylbenzimidazol-5-amine?
The IUPAC name of 1-methyl-2-thiophen-2-ylbenzimidazol-5-amine (CID 615219) is 1-methyl-2-thiophen-2-ylbenzimidazol-5-amine.
What is the SMILES notation for 1-methyl-2-thiophen-2-ylbenzimidazol-5-amine?
The canonical SMILES for 1-methyl-2-thiophen-2-ylbenzimidazol-5-amine is Cn1c(-c2cccs2)nc2cc(N)ccc21.
What is the InChIKey of 1-methyl-2-thiophen-2-ylbenzimidazol-5-amine?
The InChIKey is SERGHFHMIXGRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3S/c1-15-10-5-4-8(13)7-9(10)14-12(15)11-3-2-6-16-11/h2-7H,13H2,1H3.
What are the key properties of 1-methyl-2-thiophen-2-ylbenzimidazol-5-amine?
1-methyl-2-thiophen-2-ylbenzimidazol-5-amine has a molecular weight of 229.31 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-thiophen-2-ylbenzimidazol-5-amine is sourced from PubChem (CID 615219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).