2-[5,6-dimethyl-2-(thiophen-2-ylmethyl)benzimidazol-1-yl]ethanamine

C16H19N3S — CID 82145244

IUPAC2-[5,6-dimethyl-2-(thiophen-2-ylmethyl)benzimidazol-1-yl]ethanamine
SMILESCc1cc2nc(Cc3cccs3)n(CCN)c2cc1C
InChIInChI=1S/C16H19N3S/c1-11-8-14-15(9-12(11)2)19(6-5-17)16(18-14)10-13-4-3-7-20-13/h3-4,7-9H,5-6,10,17H2,1-2H3
InChIKeyQXHRVYMRKUHBLF-UHFFFAOYSA-N
MW285.42 g/mol
LogP3.26
Rot. Bonds4

About 2-[5,6-dimethyl-2-(thiophen-2-ylmethyl)benzimidazol-1-yl]ethanamine

2-[5,6-dimethyl-2-(thiophen-2-ylmethyl)benzimidazol-1-yl]ethanamine (PubChem CID 82145244) has the molecular formula C16H19N3S and a molecular weight of 285.42 g/mol. Its IUPAC name is 2-[5,6-dimethyl-2-(thiophen-2-ylmethyl)benzimidazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[5,6-dimethyl-2-(thiophen-2-ylmethyl)benzimidazol-1-yl]ethanamine
PubChem CID82145244
Molecular FormulaC16H19N3S
Molecular Weight285.42 g/mol
Exact Mass285.13
IUPAC Name2-[5,6-dimethyl-2-(thiophen-2-ylmethyl)benzimidazol-1-yl]ethanamine
SMILESCc1cc2nc(Cc3cccs3)n(CCN)c2cc1C
InChIInChI=1S/C16H19N3S/c1-11-8-14-15(9-12(11)2)19(6-5-17)16(18-14)10-13-4-3-7-20-13/h3-4,7-9H,5-6,10,17H2,1-2H3
InChIKeyQXHRVYMRKUHBLF-UHFFFAOYSA-N
XLogP3.26
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5,6-dimethyl-2-(thiophen-2-ylmethyl)benzimidazol-1-yl]acetonitrile
CID 39157935
2-[5,6-dimethyl-2-(thiophen-2-ylmethyl)benzimidazol-1-yl]propan-1-amine
CID 82145246
3-[6-(thiophen-2-ylmethyl)-[1,3]dioxolo[4,5-f]benzimidazol-7-yl]propan-1-amine
CID 94748726
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-methyl-2-(thiophen-2-ylmethyl)benzimidazol-5-yl]methanamine
CID 65040104
1-[3-(3,4-dimethylphenoxy)propyl]-2-(thiophen-2-ylmethyl)benzimidazole
CID 19242980
2-[2-[(2,3-dimethylphenoxy)methyl]-5,6-dimethylbenzimidazol-1-yl]ethanamine
CID 82145306
2-(5,6-dimethyl-2-propan-2-ylbenzimidazol-1-yl)ethanamine
CID 82145095
1-[2-(2,5-dimethylphenoxy)ethyl]-2-(thiophen-2-ylmethyl)benzimidazole
CID 19242940
3-[6-chloro-2-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]propan-1-amine
CID 93209804
3-(5,6-dimethyl-2-thiophen-2-ylbenzimidazol-1-yl)propanethioamide
CID 94756528

Frequently Asked Questions

What is the IUPAC name of 2-[5,6-dimethyl-2-(thiophen-2-ylmethyl)benzimidazol-1-yl]ethanamine?
The IUPAC name of 2-[5,6-dimethyl-2-(thiophen-2-ylmethyl)benzimidazol-1-yl]ethanamine (CID 82145244) is 2-[5,6-dimethyl-2-(thiophen-2-ylmethyl)benzimidazol-1-yl]ethanamine.
What is the SMILES notation for 2-[5,6-dimethyl-2-(thiophen-2-ylmethyl)benzimidazol-1-yl]ethanamine?
The canonical SMILES for 2-[5,6-dimethyl-2-(thiophen-2-ylmethyl)benzimidazol-1-yl]ethanamine is Cc1cc2nc(Cc3cccs3)n(CCN)c2cc1C.
What is the InChIKey of 2-[5,6-dimethyl-2-(thiophen-2-ylmethyl)benzimidazol-1-yl]ethanamine?
The InChIKey is QXHRVYMRKUHBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3S/c1-11-8-14-15(9-12(11)2)19(6-5-17)16(18-14)10-13-4-3-7-20-13/h3-4,7-9H,5-6,10,17H2,1-2H3.
What are the key properties of 2-[5,6-dimethyl-2-(thiophen-2-ylmethyl)benzimidazol-1-yl]ethanamine?
2-[5,6-dimethyl-2-(thiophen-2-ylmethyl)benzimidazol-1-yl]ethanamine has a molecular weight of 285.42 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5,6-dimethyl-2-(thiophen-2-ylmethyl)benzimidazol-1-yl]ethanamine is sourced from PubChem (CID 82145244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).