1-(benzimidazol-1-yl)-N-propyl-3-thiophen-2-ylpropan-2-amine

C17H21N3S — CID 105134365

IUPAC1-(benzimidazol-1-yl)-N-propyl-3-thiophen-2-ylpropan-2-amine
SMILESCCCNC(Cc1cccs1)Cn1cnc2ccccc21
InChIInChI=1S/C17H21N3S/c1-2-9-18-14(11-15-6-5-10-21-15)12-20-13-19-16-7-3-4-8-17(16)20/h3-8,10,13-14,18H,2,9,11-12H2,1H3
InChIKeyOHKUYUVPRWOMRZ-UHFFFAOYSA-N
MW299.44 g/mol
LogP3.71
Rot. Bonds7

About 1-(benzimidazol-1-yl)-N-propyl-3-thiophen-2-ylpropan-2-amine

1-(benzimidazol-1-yl)-N-propyl-3-thiophen-2-ylpropan-2-amine (PubChem CID 105134365) has the molecular formula C17H21N3S and a molecular weight of 299.44 g/mol. Its IUPAC name is 1-(benzimidazol-1-yl)-N-propyl-3-thiophen-2-ylpropan-2-amine.

Molecular Properties

Compound Name1-(benzimidazol-1-yl)-N-propyl-3-thiophen-2-ylpropan-2-amine
PubChem CID105134365
Molecular FormulaC17H21N3S
Molecular Weight299.44 g/mol
Exact Mass299.15
IUPAC Name1-(benzimidazol-1-yl)-N-propyl-3-thiophen-2-ylpropan-2-amine
SMILESCCCNC(Cc1cccs1)Cn1cnc2ccccc21
InChIInChI=1S/C17H21N3S/c1-2-9-18-14(11-15-6-5-10-21-15)12-20-13-19-16-7-3-4-8-17(16)20/h3-8,10,13-14,18H,2,9,11-12H2,1H3
InChIKeyOHKUYUVPRWOMRZ-UHFFFAOYSA-N
XLogP3.71
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(benzimidazol-1-yl)-5-methyl-N-propylhexan-2-amine
CID 105127217
1-(benzimidazol-1-yl)-3-cyclopropyl-N-propylpropan-2-amine
CID 105152945
1-(benzimidazol-1-yl)-N-propylhept-6-yn-2-amine
CID 105179707
1-(1-methylpyrazol-3-yl)-N-propyl-3-thiophen-2-ylpropan-2-amine
CID 82876479
N-[2-(benzimidazol-1-yl)-1-pyridin-3-ylethyl]propan-1-amine
CID 105098601
N-propyl-1-thiophen-2-ylhept-5-yn-2-amine
CID 104805257
N-propyl-1-thiophen-2-ylpropan-2-amine
CID 43692824
1-(4-chlorophenyl)-N-propyl-3-thiophen-2-ylpropan-2-amine
CID 62502526
1-(2-methoxyphenyl)-N-propyl-3-thiophen-2-ylpropan-2-amine
CID 62501184
1-(benzimidazol-1-yl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 105180009
[1-(benzimidazol-1-yl)-4-methylpentan-2-yl]hydrazine
CID 105282683
1-(benzimidazol-1-yl)-N-ethylpent-4-yn-2-amine
CID 105077571

Frequently Asked Questions

What is the IUPAC name of 1-(benzimidazol-1-yl)-N-propyl-3-thiophen-2-ylpropan-2-amine?
The IUPAC name of 1-(benzimidazol-1-yl)-N-propyl-3-thiophen-2-ylpropan-2-amine (CID 105134365) is 1-(benzimidazol-1-yl)-N-propyl-3-thiophen-2-ylpropan-2-amine.
What is the SMILES notation for 1-(benzimidazol-1-yl)-N-propyl-3-thiophen-2-ylpropan-2-amine?
The canonical SMILES for 1-(benzimidazol-1-yl)-N-propyl-3-thiophen-2-ylpropan-2-amine is CCCNC(Cc1cccs1)Cn1cnc2ccccc21.
What is the InChIKey of 1-(benzimidazol-1-yl)-N-propyl-3-thiophen-2-ylpropan-2-amine?
The InChIKey is OHKUYUVPRWOMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3S/c1-2-9-18-14(11-15-6-5-10-21-15)12-20-13-19-16-7-3-4-8-17(16)20/h3-8,10,13-14,18H,2,9,11-12H2,1H3.
What are the key properties of 1-(benzimidazol-1-yl)-N-propyl-3-thiophen-2-ylpropan-2-amine?
1-(benzimidazol-1-yl)-N-propyl-3-thiophen-2-ylpropan-2-amine has a molecular weight of 299.44 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzimidazol-1-yl)-N-propyl-3-thiophen-2-ylpropan-2-amine is sourced from PubChem (CID 105134365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).