3-(benzimidazol-1-yl)-N-(1,3-thiazol-5-ylmethyl)propan-1-amine

C14H16N4S — CID 55109662

IUPAC3-(benzimidazol-1-yl)-N-(1,3-thiazol-5-ylmethyl)propan-1-amine
SMILESc1ccc2c(c1)ncn2CCCNCc1cncs1
InChIInChI=1S/C14H16N4S/c1-2-5-14-13(4-1)17-10-18(14)7-3-6-15-8-12-9-16-11-19-12/h1-2,4-5,9-11,15H,3,6-8H2
InChIKeyGAFMUPMIIIIGCV-UHFFFAOYSA-N
MW272.38 g/mol
LogP2.67
Rot. Bonds6

About 3-(benzimidazol-1-yl)-N-(1,3-thiazol-5-ylmethyl)propan-1-amine

3-(benzimidazol-1-yl)-N-(1,3-thiazol-5-ylmethyl)propan-1-amine (PubChem CID 55109662) has the molecular formula C14H16N4S and a molecular weight of 272.38 g/mol. Its IUPAC name is 3-(benzimidazol-1-yl)-N-(1,3-thiazol-5-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-(benzimidazol-1-yl)-N-(1,3-thiazol-5-ylmethyl)propan-1-amine
PubChem CID55109662
Molecular FormulaC14H16N4S
Molecular Weight272.38 g/mol
Exact Mass272.11
IUPAC Name3-(benzimidazol-1-yl)-N-(1,3-thiazol-5-ylmethyl)propan-1-amine
SMILESc1ccc2c(c1)ncn2CCCNCc1cncs1
InChIInChI=1S/C14H16N4S/c1-2-5-14-13(4-1)17-10-18(14)7-3-6-15-8-12-9-16-11-19-12/h1-2,4-5,9-11,15H,3,6-8H2
InChIKeyGAFMUPMIIIIGCV-UHFFFAOYSA-N
XLogP2.67
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(benzimidazol-1-yl)-N-(1,3-thiazol-5-ylmethyl)propan-1-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-(benzimidazol-1-yl)-N-[(5-chloro-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 104878480
3-(benzimidazol-1-yl)-N-[(3-bromothiophen-2-yl)methyl]propan-1-amine
CID 115379810
5-[[3-(benzimidazol-1-yl)propylamino]methyl]thiophene-3-carbonitrile
CID 79538680
3-(benzimidazol-1-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]propan-1-amine
CID 28781418
3-(benzimidazol-1-yl)-N-[(1-methyltriazol-4-yl)methyl]propan-1-amine
CID 62756291
3-(benzimidazol-1-yl)-N-(2-methoxyethyl)propan-1-amine
CID 60721061
4-[2-[3-(benzimidazol-1-yl)propylamino]-1-hydroxyethyl]benzene-1,2-diol
CID 110176675
2-(benzimidazol-1-yl)-N-(furan-2-ylmethyl)ethanamine
CID 55023371
N-[2-(benzimidazol-1-yl)ethyl]hexan-1-amine
CID 62563672
N-[3-(benzimidazol-1-yl)propyl]-1-bromomethanesulfonamide
CID 83093191
1-(6-chlorohexyl)benzimidazole
CID 62228178
1-[3-[3-(benzimidazol-1-yl)propyldisulfanyl]propyl]benzimidazole
CID 159358672

Frequently Asked Questions

What is the IUPAC name of 3-(benzimidazol-1-yl)-N-(1,3-thiazol-5-ylmethyl)propan-1-amine?
The IUPAC name of 3-(benzimidazol-1-yl)-N-(1,3-thiazol-5-ylmethyl)propan-1-amine (CID 55109662) is 3-(benzimidazol-1-yl)-N-(1,3-thiazol-5-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-(benzimidazol-1-yl)-N-(1,3-thiazol-5-ylmethyl)propan-1-amine?
The canonical SMILES for 3-(benzimidazol-1-yl)-N-(1,3-thiazol-5-ylmethyl)propan-1-amine is c1ccc2c(c1)ncn2CCCNCc1cncs1.
What is the InChIKey of 3-(benzimidazol-1-yl)-N-(1,3-thiazol-5-ylmethyl)propan-1-amine?
The InChIKey is GAFMUPMIIIIGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4S/c1-2-5-14-13(4-1)17-10-18(14)7-3-6-15-8-12-9-16-11-19-12/h1-2,4-5,9-11,15H,3,6-8H2.
What are the key properties of 3-(benzimidazol-1-yl)-N-(1,3-thiazol-5-ylmethyl)propan-1-amine?
3-(benzimidazol-1-yl)-N-(1,3-thiazol-5-ylmethyl)propan-1-amine has a molecular weight of 272.38 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzimidazol-1-yl)-N-(1,3-thiazol-5-ylmethyl)propan-1-amine is sourced from PubChem (CID 55109662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).