N-[(1-ethylbenzimidazol-2-yl)methyl]-1-thiophen-3-ylpropan-2-amine

C17H21N3S — CID 61221729

IUPACN-[(1-ethylbenzimidazol-2-yl)methyl]-1-thiophen-3-ylpropan-2-amine
SMILESCCn1c(CNC(C)Cc2ccsc2)nc2ccccc21
InChIInChI=1S/C17H21N3S/c1-3-20-16-7-5-4-6-15(16)19-17(20)11-18-13(2)10-14-8-9-21-12-14/h4-9,12-13,18H,3,10-11H2,1-2H3
InChIKeyOTXLDSBPOUQYJE-UHFFFAOYSA-N
MW299.44 g/mol
LogP3.84
Rot. Bonds6

About N-[(1-ethylbenzimidazol-2-yl)methyl]-1-thiophen-3-ylpropan-2-amine

N-[(1-ethylbenzimidazol-2-yl)methyl]-1-thiophen-3-ylpropan-2-amine (PubChem CID 61221729) has the molecular formula C17H21N3S and a molecular weight of 299.44 g/mol. Its IUPAC name is N-[(1-ethylbenzimidazol-2-yl)methyl]-1-thiophen-3-ylpropan-2-amine.

Molecular Properties

Compound NameN-[(1-ethylbenzimidazol-2-yl)methyl]-1-thiophen-3-ylpropan-2-amine
PubChem CID61221729
Molecular FormulaC17H21N3S
Molecular Weight299.44 g/mol
Exact Mass299.15
IUPAC NameN-[(1-ethylbenzimidazol-2-yl)methyl]-1-thiophen-3-ylpropan-2-amine
SMILESCCn1c(CNC(C)Cc2ccsc2)nc2ccccc21
InChIInChI=1S/C17H21N3S/c1-3-20-16-7-5-4-6-15(16)19-17(20)11-18-13(2)10-14-8-9-21-12-14/h4-9,12-13,18H,3,10-11H2,1-2H3
InChIKeyOTXLDSBPOUQYJE-UHFFFAOYSA-N
XLogP3.84
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 ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methylbenzimidazol-2-yl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 63001491
N-[(1-ethylbenzimidazol-2-yl)methyl]-5-methylhexan-2-amine
CID 61020511
3-[(1-ethylbenzimidazol-2-yl)methylamino]butan-1-ol
CID 78998124
(3R)-3-[(1-ethylbenzimidazol-2-yl)methylamino]-3-thiophen-3-ylpropanoic acid
CID 99796637
3-ethyl-N-[(1-ethylbenzimidazol-2-yl)methyl]pentan-2-amine
CID 63842235
(2S)-2-[(1-ethylbenzimidazol-2-yl)methylamino]butan-1-ol
CID 93450480
methyl (2S)-2-[(1-ethylbenzimidazol-2-yl)methylamino]propanoate
CID 61151100
(1-ethylbenzimidazol-2-yl)methylhydrazine
CID 53275104
N-[3-[(1-ethylbenzimidazol-2-yl)methylamino]-3-oxopropyl]thiophene-3-carboxamide
CID 18116720
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-methylpropan-1-amine
CID 79750930
1-(1-ethylbenzimidazol-2-yl)propan-2-ol
CID 79753828
4-(1-ethylbenzimidazol-2-yl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 81011531

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylbenzimidazol-2-yl)methyl]-1-thiophen-3-ylpropan-2-amine?
The IUPAC name of N-[(1-ethylbenzimidazol-2-yl)methyl]-1-thiophen-3-ylpropan-2-amine (CID 61221729) is N-[(1-ethylbenzimidazol-2-yl)methyl]-1-thiophen-3-ylpropan-2-amine.
What is the SMILES notation for N-[(1-ethylbenzimidazol-2-yl)methyl]-1-thiophen-3-ylpropan-2-amine?
The canonical SMILES for N-[(1-ethylbenzimidazol-2-yl)methyl]-1-thiophen-3-ylpropan-2-amine is CCn1c(CNC(C)Cc2ccsc2)nc2ccccc21.
What is the InChIKey of N-[(1-ethylbenzimidazol-2-yl)methyl]-1-thiophen-3-ylpropan-2-amine?
The InChIKey is OTXLDSBPOUQYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3S/c1-3-20-16-7-5-4-6-15(16)19-17(20)11-18-13(2)10-14-8-9-21-12-14/h4-9,12-13,18H,3,10-11H2,1-2H3.
What are the key properties of N-[(1-ethylbenzimidazol-2-yl)methyl]-1-thiophen-3-ylpropan-2-amine?
N-[(1-ethylbenzimidazol-2-yl)methyl]-1-thiophen-3-ylpropan-2-amine has a molecular weight of 299.44 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylbenzimidazol-2-yl)methyl]-1-thiophen-3-ylpropan-2-amine is sourced from PubChem (CID 61221729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).