2-(3-methylthiophen-2-yl)-2-(2-propylbenzimidazol-1-yl)ethanamine

C17H21N3S — CID 115970638

IUPAC2-(3-methylthiophen-2-yl)-2-(2-propylbenzimidazol-1-yl)ethanamine
SMILESCCCc1nc2ccccc2n1C(CN)c1sccc1C
InChIInChI=1S/C17H21N3S/c1-3-6-16-19-13-7-4-5-8-14(13)20(16)15(11-18)17-12(2)9-10-21-17/h4-5,7-10,15H,3,6,11,18H2,1-2H3
InChIKeyLEFXWCRGIHSXLY-UHFFFAOYSA-N
MW299.44 g/mol
LogP3.91
Rot. Bonds5

About 2-(3-methylthiophen-2-yl)-2-(2-propylbenzimidazol-1-yl)ethanamine

2-(3-methylthiophen-2-yl)-2-(2-propylbenzimidazol-1-yl)ethanamine (PubChem CID 115970638) has the molecular formula C17H21N3S and a molecular weight of 299.44 g/mol. Its IUPAC name is 2-(3-methylthiophen-2-yl)-2-(2-propylbenzimidazol-1-yl)ethanamine.

Molecular Properties

Compound Name2-(3-methylthiophen-2-yl)-2-(2-propylbenzimidazol-1-yl)ethanamine
PubChem CID115970638
Molecular FormulaC17H21N3S
Molecular Weight299.44 g/mol
Exact Mass299.15
IUPAC Name2-(3-methylthiophen-2-yl)-2-(2-propylbenzimidazol-1-yl)ethanamine
SMILESCCCc1nc2ccccc2n1C(CN)c1sccc1C
InChIInChI=1S/C17H21N3S/c1-3-6-16-19-13-7-4-5-8-14(13)20(16)15(11-18)17-12(2)9-10-21-17/h4-5,7-10,15H,3,6,11,18H2,1-2H3
InChIKeyLEFXWCRGIHSXLY-UHFFFAOYSA-N
XLogP3.91
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-methylthiophen-2-yl)-2-(2-propylbenzimidazol-1-yl)ethanamine
CID 115970610
3,3-dimethyl-2-(2-propylbenzimidazol-1-yl)butan-1-amine
CID 112632091
2-(2-butylbenzimidazol-1-yl)propan-1-amine
CID 82144544
N-methyl-2-(2-propylbenzimidazol-1-yl)propan-1-amine
CID 112632401
2-indazol-1-yl-2-(3-methylthiophen-2-yl)ethanamine
CID 55041220
2-(2-ethylbenzimidazol-1-yl)-2-phenylethanamine
CID 63105228
N-ethyl-2-(2-propylbenzimidazol-1-yl)propan-1-amine
CID 112632434
ethyl 2-(2-propylbenzimidazol-1-yl)butanoate
CID 115970669
2-[1-[(2R)-butan-2-yl]benzimidazol-2-yl]ethanamine
CID 51970586
3-amino-4,4-dimethyl-2-(2-propylbenzimidazol-1-yl)pentan-1-ol
CID 114357790
(2S)-2-(2-propylbenzimidazol-1-yl)propanoic acid
CID 7424145
2-(2-ethylbenzimidazol-1-yl)-2-(2-fluorophenyl)ethanamine
CID 63105995

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylthiophen-2-yl)-2-(2-propylbenzimidazol-1-yl)ethanamine?
The IUPAC name of 2-(3-methylthiophen-2-yl)-2-(2-propylbenzimidazol-1-yl)ethanamine (CID 115970638) is 2-(3-methylthiophen-2-yl)-2-(2-propylbenzimidazol-1-yl)ethanamine.
What is the SMILES notation for 2-(3-methylthiophen-2-yl)-2-(2-propylbenzimidazol-1-yl)ethanamine?
The canonical SMILES for 2-(3-methylthiophen-2-yl)-2-(2-propylbenzimidazol-1-yl)ethanamine is CCCc1nc2ccccc2n1C(CN)c1sccc1C.
What is the InChIKey of 2-(3-methylthiophen-2-yl)-2-(2-propylbenzimidazol-1-yl)ethanamine?
The InChIKey is LEFXWCRGIHSXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3S/c1-3-6-16-19-13-7-4-5-8-14(13)20(16)15(11-18)17-12(2)9-10-21-17/h4-5,7-10,15H,3,6,11,18H2,1-2H3.
What are the key properties of 2-(3-methylthiophen-2-yl)-2-(2-propylbenzimidazol-1-yl)ethanamine?
2-(3-methylthiophen-2-yl)-2-(2-propylbenzimidazol-1-yl)ethanamine has a molecular weight of 299.44 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylthiophen-2-yl)-2-(2-propylbenzimidazol-1-yl)ethanamine is sourced from PubChem (CID 115970638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).