N-[(5-ethylthiophen-2-yl)methyl]-2-(2-methylbenzimidazol-1-yl)ethanamine

C17H21N3S — CID 62345537

IUPACN-[(5-ethylthiophen-2-yl)methyl]-2-(2-methylbenzimidazol-1-yl)ethanamine
SMILESCCc1ccc(CNCCn2c(C)nc3ccccc32)s1
InChIInChI=1S/C17H21N3S/c1-3-14-8-9-15(21-14)12-18-10-11-20-13(2)19-16-6-4-5-7-17(16)20/h4-9,18H,3,10-12H2,1-2H3
InChIKeyJPCHBAPEDZZWDO-UHFFFAOYSA-N
MW299.44 g/mol
LogP3.76
Rot. Bonds6

About N-[(5-ethylthiophen-2-yl)methyl]-2-(2-methylbenzimidazol-1-yl)ethanamine

N-[(5-ethylthiophen-2-yl)methyl]-2-(2-methylbenzimidazol-1-yl)ethanamine (PubChem CID 62345537) has the molecular formula C17H21N3S and a molecular weight of 299.44 g/mol. Its IUPAC name is N-[(5-ethylthiophen-2-yl)methyl]-2-(2-methylbenzimidazol-1-yl)ethanamine.

Molecular Properties

Compound NameN-[(5-ethylthiophen-2-yl)methyl]-2-(2-methylbenzimidazol-1-yl)ethanamine
PubChem CID62345537
Molecular FormulaC17H21N3S
Molecular Weight299.44 g/mol
Exact Mass299.15
IUPAC NameN-[(5-ethylthiophen-2-yl)methyl]-2-(2-methylbenzimidazol-1-yl)ethanamine
SMILESCCc1ccc(CNCCn2c(C)nc3ccccc32)s1
InChIInChI=1S/C17H21N3S/c1-3-14-8-9-15(21-14)12-18-10-11-20-13(2)19-16-6-4-5-7-17(16)20/h4-9,18H,3,10-12H2,1-2H3
InChIKeyJPCHBAPEDZZWDO-UHFFFAOYSA-N
XLogP3.76
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 53.76
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

2-(2-methylbenzimidazol-1-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 28712943
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-(2-methylbenzimidazol-1-yl)ethanamine
CID 102831213
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
1,3-dimethyl-5-[[2-(2-methylbenzimidazol-1-yl)ethylamino]methyl]pyrimidine-2,4-dione
CID 119126551
N',N'-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]ethane-1,2-diamine
CID 60697290
2-methyl-1-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-[(5-methylthiophen-2-yl)methyl]guanidine;hydroiodide
CID 111898766
2-methoxy-5-[[2-(2-methylbenzimidazol-1-yl)ethylamino]methyl]phenol
CID 51073480
2-(2-methylbenzimidazol-1-yl)ethanol
CID 761926
2-(2-methylindol-1-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 62562311
2-(2-methylbenzimidazol-1-yl)-N-(piperidin-4-ylmethyl)ethanamine
CID 79707187
3-(2-methylbenzimidazol-1-yl)propanal
CID 63041699

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-2-(2-methylbenzimidazol-1-yl)ethanamine?
The IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-2-(2-methylbenzimidazol-1-yl)ethanamine (CID 62345537) is N-[(5-ethylthiophen-2-yl)methyl]-2-(2-methylbenzimidazol-1-yl)ethanamine.
What is the SMILES notation for N-[(5-ethylthiophen-2-yl)methyl]-2-(2-methylbenzimidazol-1-yl)ethanamine?
The canonical SMILES for N-[(5-ethylthiophen-2-yl)methyl]-2-(2-methylbenzimidazol-1-yl)ethanamine is CCc1ccc(CNCCn2c(C)nc3ccccc32)s1.
What is the InChIKey of N-[(5-ethylthiophen-2-yl)methyl]-2-(2-methylbenzimidazol-1-yl)ethanamine?
The InChIKey is JPCHBAPEDZZWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3S/c1-3-14-8-9-15(21-14)12-18-10-11-20-13(2)19-16-6-4-5-7-17(16)20/h4-9,18H,3,10-12H2,1-2H3.
What are the key properties of N-[(5-ethylthiophen-2-yl)methyl]-2-(2-methylbenzimidazol-1-yl)ethanamine?
N-[(5-ethylthiophen-2-yl)methyl]-2-(2-methylbenzimidazol-1-yl)ethanamine has a molecular weight of 299.44 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylthiophen-2-yl)methyl]-2-(2-methylbenzimidazol-1-yl)ethanamine is sourced from PubChem (CID 62345537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).