1-(benzimidazol-1-yl)-1-thiophen-2-ylpropan-2-amine

C14H15N3S — CID 55021920

IUPAC1-(benzimidazol-1-yl)-1-thiophen-2-ylpropan-2-amine
SMILESCC(N)C(c1cccs1)n1cnc2ccccc21
InChIInChI=1S/C14H15N3S/c1-10(15)14(13-7-4-8-18-13)17-9-16-11-5-2-3-6-12(11)17/h2-10,14H,15H2,1H3
InChIKeyQBYUNMKCWOFNFO-UHFFFAOYSA-N
MW257.36 g/mol
LogP3.03
Rot. Bonds3

About 1-(benzimidazol-1-yl)-1-thiophen-2-ylpropan-2-amine

1-(benzimidazol-1-yl)-1-thiophen-2-ylpropan-2-amine (PubChem CID 55021920) has the molecular formula C14H15N3S and a molecular weight of 257.36 g/mol. Its IUPAC name is 1-(benzimidazol-1-yl)-1-thiophen-2-ylpropan-2-amine.

Molecular Properties

Compound Name1-(benzimidazol-1-yl)-1-thiophen-2-ylpropan-2-amine
PubChem CID55021920
Molecular FormulaC14H15N3S
Molecular Weight257.36 g/mol
Exact Mass257.10
IUPAC Name1-(benzimidazol-1-yl)-1-thiophen-2-ylpropan-2-amine
SMILESCC(N)C(c1cccs1)n1cnc2ccccc21
InChIInChI=1S/C14H15N3S/c1-10(15)14(13-7-4-8-18-13)17-9-16-11-5-2-3-6-12(11)17/h2-10,14H,15H2,1H3
InChIKeyQBYUNMKCWOFNFO-UHFFFAOYSA-N
XLogP3.03
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(benzimidazol-1-yl)-1-thiophen-2-ylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-methyl-1-thiophen-2-ylpropyl)benzimidazole-5-carboxylic acid
CID 82774459
(2R)-2-(benzimidazol-1-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]propanamide
CID 39059871
2-(benzimidazol-1-yl)pentan-3-amine
CID 16785487
1-(benzimidazol-1-yl)propane-1,2-diol
CID 22018573
1-butan-2-ylbenzimidazole;hydrochloride
CID 56832397
1-(dichloromethyl)benzimidazole
CID 69189311
2-(benzimidazol-1-yl)pentan-1-amine
CID 83046427
4-(benzimidazol-1-yl)pentan-2-ol
CID 64720389
3-(benzimidazol-1-yl)heptan-4-amine
CID 43184507
(1S)-1-[4-(benzimidazol-1-yl)phenyl]ethanamine
CID 25324450
3-(benzimidazol-1-yl)-2-methylbutanoic acid
CID 79391700
3-(1-thiophen-2-ylpropyl)benzimidazole-5-carboxylic acid
CID 82791387

Frequently Asked Questions

What is the IUPAC name of 1-(benzimidazol-1-yl)-1-thiophen-2-ylpropan-2-amine?
The IUPAC name of 1-(benzimidazol-1-yl)-1-thiophen-2-ylpropan-2-amine (CID 55021920) is 1-(benzimidazol-1-yl)-1-thiophen-2-ylpropan-2-amine.
What is the SMILES notation for 1-(benzimidazol-1-yl)-1-thiophen-2-ylpropan-2-amine?
The canonical SMILES for 1-(benzimidazol-1-yl)-1-thiophen-2-ylpropan-2-amine is CC(N)C(c1cccs1)n1cnc2ccccc21.
What is the InChIKey of 1-(benzimidazol-1-yl)-1-thiophen-2-ylpropan-2-amine?
The InChIKey is QBYUNMKCWOFNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3S/c1-10(15)14(13-7-4-8-18-13)17-9-16-11-5-2-3-6-12(11)17/h2-10,14H,15H2,1H3.
What are the key properties of 1-(benzimidazol-1-yl)-1-thiophen-2-ylpropan-2-amine?
1-(benzimidazol-1-yl)-1-thiophen-2-ylpropan-2-amine has a molecular weight of 257.36 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzimidazol-1-yl)-1-thiophen-2-ylpropan-2-amine is sourced from PubChem (CID 55021920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).