1-methyl-2-(thiophen-2-ylmethyl)benzimidazol-4-amine

C13H13N3S — CID 82067986

IUPAC1-methyl-2-(thiophen-2-ylmethyl)benzimidazol-4-amine
SMILESCn1c(Cc2cccs2)nc2c(N)cccc21
InChIInChI=1S/C13H13N3S/c1-16-11-6-2-5-10(14)13(11)15-12(16)8-9-4-3-7-17-9/h2-7H,8,14H2,1H3
InChIKeyLHYVSXIFRHRSPW-UHFFFAOYSA-N
MW243.34 g/mol
LogP2.81
Rot. Bonds2

About 1-methyl-2-(thiophen-2-ylmethyl)benzimidazol-4-amine

1-methyl-2-(thiophen-2-ylmethyl)benzimidazol-4-amine (PubChem CID 82067986) has the molecular formula C13H13N3S and a molecular weight of 243.34 g/mol. Its IUPAC name is 1-methyl-2-(thiophen-2-ylmethyl)benzimidazol-4-amine.

Molecular Properties

Compound Name1-methyl-2-(thiophen-2-ylmethyl)benzimidazol-4-amine
PubChem CID82067986
Molecular FormulaC13H13N3S
Molecular Weight243.34 g/mol
Exact Mass243.08
IUPAC Name1-methyl-2-(thiophen-2-ylmethyl)benzimidazol-4-amine
SMILESCn1c(Cc2cccs2)nc2c(N)cccc21
InChIInChI=1S/C13H13N3S/c1-16-11-6-2-5-10(14)13(11)15-12(16)8-9-4-3-7-17-9/h2-7H,8,14H2,1H3
InChIKeyLHYVSXIFRHRSPW-UHFFFAOYSA-N
XLogP2.81
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.34
LogP ≤ 52.81
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

1-prop-2-enyl-2-(thiophen-2-ylmethyl)benzimidazol-4-amine
CID 82067980
2-[4-amino-2-(thiophen-2-ylmethyl)benzimidazol-1-yl]-N-methylacetamide
CID 82067994
[1-methyl-2-(thiophen-2-ylmethyl)benzimidazol-5-yl]methanamine
CID 65040104
2-methyl-3-(thiophen-2-ylmethyl)aniline
CID 39240617
5-chloro-1-methyl-2-(thiophen-2-ylmethyl)imidazole
CID 117259295
7-methoxy-1-methyl-2-(thiophen-2-ylmethyl)benzimidazole-4-carboxylic acid
CID 67414964
2-[[2-(thiophen-2-ylmethyl)imidazol-1-yl]methyl]aniline
CID 82557902
3-[2-(thiophen-2-ylmethyl)benzimidazol-1-yl]propan-1-amine
CID 82144722
4-[2-(thiophen-2-ylmethyl)benzimidazol-1-yl]butan-1-amine
CID 82144723
1-prop-2-enyl-2-thiophen-2-ylbenzimidazol-4-amine
CID 82067751
5-methyl-3-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 82061343
2-[5,6-dimethyl-2-(thiophen-2-ylmethyl)benzimidazol-1-yl]ethanamine
CID 82145244

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(thiophen-2-ylmethyl)benzimidazol-4-amine?
The IUPAC name of 1-methyl-2-(thiophen-2-ylmethyl)benzimidazol-4-amine (CID 82067986) is 1-methyl-2-(thiophen-2-ylmethyl)benzimidazol-4-amine.
What is the SMILES notation for 1-methyl-2-(thiophen-2-ylmethyl)benzimidazol-4-amine?
The canonical SMILES for 1-methyl-2-(thiophen-2-ylmethyl)benzimidazol-4-amine is Cn1c(Cc2cccs2)nc2c(N)cccc21.
What is the InChIKey of 1-methyl-2-(thiophen-2-ylmethyl)benzimidazol-4-amine?
The InChIKey is LHYVSXIFRHRSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3S/c1-16-11-6-2-5-10(14)13(11)15-12(16)8-9-4-3-7-17-9/h2-7H,8,14H2,1H3.
What are the key properties of 1-methyl-2-(thiophen-2-ylmethyl)benzimidazol-4-amine?
1-methyl-2-(thiophen-2-ylmethyl)benzimidazol-4-amine has a molecular weight of 243.34 g/mol, XLogP of 2.81, 2 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-ylmethyl)benzimidazol-4-amine is sourced from PubChem (CID 82067986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).