2-(2-methylbenzimidazol-1-yl)-N-(thiophen-2-ylmethyl)ethanamine

C15H17N3S — CID 28712943

IUPAC2-(2-methylbenzimidazol-1-yl)-N-(thiophen-2-ylmethyl)ethanamine
SMILESCc1nc2ccccc2n1CCNCc1cccs1
InChIInChI=1S/C15H17N3S/c1-12-17-14-6-2-3-7-15(14)18(12)9-8-16-11-13-5-4-10-19-13/h2-7,10,16H,8-9,11H2,1H3
InChIKeyXZMOIEFUZDIUMN-UHFFFAOYSA-N
MW271.39 g/mol
LogP3.20
Rot. Bonds5

About 2-(2-methylbenzimidazol-1-yl)-N-(thiophen-2-ylmethyl)ethanamine

2-(2-methylbenzimidazol-1-yl)-N-(thiophen-2-ylmethyl)ethanamine (PubChem CID 28712943) has the molecular formula C15H17N3S and a molecular weight of 271.39 g/mol. Its IUPAC name is 2-(2-methylbenzimidazol-1-yl)-N-(thiophen-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(2-methylbenzimidazol-1-yl)-N-(thiophen-2-ylmethyl)ethanamine
PubChem CID28712943
Molecular FormulaC15H17N3S
Molecular Weight271.39 g/mol
Exact Mass271.11
IUPAC Name2-(2-methylbenzimidazol-1-yl)-N-(thiophen-2-ylmethyl)ethanamine
SMILESCc1nc2ccccc2n1CCNCc1cccs1
InChIInChI=1S/C15H17N3S/c1-12-17-14-6-2-3-7-15(14)18(12)9-8-16-11-13-5-4-10-19-13/h2-7,10,16H,8-9,11H2,1H3
InChIKeyXZMOIEFUZDIUMN-UHFFFAOYSA-N
XLogP3.20
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-ethylthiophen-2-yl)methyl]-2-(2-methylbenzimidazol-1-yl)ethanamine
CID 62345537
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-(2-methylbenzimidazol-1-yl)ethanamine
CID 102831213
N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-thiophen-2-ylacetamide
CID 51711691
2-(2-methylbenzimidazol-1-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine
CID 66410022
2-(2-methylbenzimidazol-1-yl)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine
CID 62749627
N',N'-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]ethane-1,2-diamine
CID 60697290
1,3-dimethyl-5-[[2-(2-methylbenzimidazol-1-yl)ethylamino]methyl]pyrimidine-2,4-dione
CID 119126551
3-(2-methylbenzimidazol-1-yl)propanal
CID 63041699
N-[1-[2-(2-methylbenzimidazol-1-yl)ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 51302369
2-methoxy-5-[[2-(2-methylbenzimidazol-1-yl)ethylamino]methyl]phenol
CID 51073480
2-(2-methylbenzimidazol-1-yl)ethanol
CID 761926
2-(2-methylbenzimidazol-1-yl)-N-(piperidin-4-ylmethyl)ethanamine
CID 79707187

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbenzimidazol-1-yl)-N-(thiophen-2-ylmethyl)ethanamine?
The IUPAC name of 2-(2-methylbenzimidazol-1-yl)-N-(thiophen-2-ylmethyl)ethanamine (CID 28712943) is 2-(2-methylbenzimidazol-1-yl)-N-(thiophen-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(2-methylbenzimidazol-1-yl)-N-(thiophen-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(2-methylbenzimidazol-1-yl)-N-(thiophen-2-ylmethyl)ethanamine is Cc1nc2ccccc2n1CCNCc1cccs1.
What is the InChIKey of 2-(2-methylbenzimidazol-1-yl)-N-(thiophen-2-ylmethyl)ethanamine?
The InChIKey is XZMOIEFUZDIUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3S/c1-12-17-14-6-2-3-7-15(14)18(12)9-8-16-11-13-5-4-10-19-13/h2-7,10,16H,8-9,11H2,1H3.
What are the key properties of 2-(2-methylbenzimidazol-1-yl)-N-(thiophen-2-ylmethyl)ethanamine?
2-(2-methylbenzimidazol-1-yl)-N-(thiophen-2-ylmethyl)ethanamine has a molecular weight of 271.39 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbenzimidazol-1-yl)-N-(thiophen-2-ylmethyl)ethanamine is sourced from PubChem (CID 28712943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).