2-(1H-benzimidazol-2-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine

C15H17N3S — CID 66527309

IUPAC2-(1H-benzimidazol-2-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
SMILESCc1ccsc1CNCCc1nc2ccccc2[nH]1
InChIInChI=1S/C15H17N3S/c1-11-7-9-19-14(11)10-16-8-6-15-17-12-4-2-3-5-13(12)18-15/h2-5,7,9,16H,6,8,10H2,1H3,(H,17,18)
InChIKeyZURSGYKYIZXAEI-UHFFFAOYSA-N
MW271.39 g/mol
LogP3.27
Rot. Bonds5

About 2-(1H-benzimidazol-2-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine

2-(1H-benzimidazol-2-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine (PubChem CID 66527309) has the molecular formula C15H17N3S and a molecular weight of 271.39 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
PubChem CID66527309
Molecular FormulaC15H17N3S
Molecular Weight271.39 g/mol
Exact Mass271.11
IUPAC Name2-(1H-benzimidazol-2-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
SMILESCc1ccsc1CNCCc1nc2ccccc2[nH]1
InChIInChI=1S/C15H17N3S/c1-11-7-9-19-14(11)10-16-8-6-15-17-12-4-2-3-5-13(12)18-15/h2-5,7,9,16H,6,8,10H2,1H3,(H,17,18)
InChIKeyZURSGYKYIZXAEI-UHFFFAOYSA-N
XLogP3.27
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1H-benzimidazol-2-ylmethyl)-1-(3-methylthiophen-2-yl)methanamine
CID 66526943
1-[2-(1H-benzimidazol-2-yl)ethyl]-2-methyl-3-[(3-methylthiophen-2-yl)methyl]guanidine;hydroiodide
CID 111893548
2-(1H-benzimidazol-2-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 66526955
N-[2-(1H-benzimidazol-2-yl)ethyl]propan-1-amine
CID 82336831
1-[3-(1H-benzimidazol-2-yl)propyl]-3-ethyl-2-[(3-methylthiophen-2-yl)methyl]guanidine;hydroiodide
CID 111893676
2-(1H-benzimidazol-2-yl)-N-[(4-chlorophenyl)methyl]ethanamine
CID 66526945
N-[2-(1H-benzimidazol-2-yl)ethyl]pentan-1-amine
CID 82336874
4-[[2-(1H-benzimidazol-2-yl)ethylamino]methyl]-N,N-diethylaniline
CID 124824368
2-(1H-benzimidazol-2-yl)-N-[(3-bromophenyl)methyl]ethanamine
CID 66526967
2-(1H-benzimidazol-2-yl)-N-[(3,4-dimethoxyphenyl)methyl]ethanamine
CID 66526954
4-[2-(1H-benzimidazol-2-yl)ethylamino]butan-1-ol
CID 83960714
N-[2-(1H-benzimidazol-2-yl)ethyl]-N',N'-diethylpropane-1,3-diamine
CID 82337057

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of 2-(1H-benzimidazol-2-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine (CID 66527309) is 2-(1H-benzimidazol-2-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-(1H-benzimidazol-2-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for 2-(1H-benzimidazol-2-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine is Cc1ccsc1CNCCc1nc2ccccc2[nH]1.
What is the InChIKey of 2-(1H-benzimidazol-2-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine?
The InChIKey is ZURSGYKYIZXAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3S/c1-11-7-9-19-14(11)10-16-8-6-15-17-12-4-2-3-5-13(12)18-15/h2-5,7,9,16H,6,8,10H2,1H3,(H,17,18).
What are the key properties of 2-(1H-benzimidazol-2-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine?
2-(1H-benzimidazol-2-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine has a molecular weight of 271.39 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 66527309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).