1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzimidazol-5-amine

C15H15N3S — CID 62845453

IUPAC1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzimidazol-5-amine
SMILESNc1ccc2c(c1)ncn2C1CCCc2sccc21
InChIInChI=1S/C15H15N3S/c16-10-4-5-14-12(8-10)17-9-18(14)13-2-1-3-15-11(13)6-7-19-15/h4-9,13H,1-3,16H2
InChIKeyIXTXVRLQAZCYAL-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.61
Rot. Bonds1

About 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzimidazol-5-amine

1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzimidazol-5-amine (PubChem CID 62845453) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzimidazol-5-amine.

Molecular Properties

Compound Name1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzimidazol-5-amine
PubChem CID62845453
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC Name1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzimidazol-5-amine
SMILESNc1ccc2c(c1)ncn2C1CCCc2sccc21
InChIInChI=1S/C15H15N3S/c16-10-4-5-14-12(8-10)17-9-18(14)13-2-1-3-15-11(13)6-7-19-15/h4-9,13H,1-3,16H2
InChIKeyIXTXVRLQAZCYAL-UHFFFAOYSA-N
XLogP3.61
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzimidazol-5-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

2-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzimidazol-5-amine
CID 62842817
2-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,3-dihydroisoindol-5-amine
CID 62842813
5-methyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrazol-3-amine
CID 62840410
5-iodo-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzimidazol-2-amine
CID 66080019
4-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)quinazoline-4,7-diamine
CID 65336937
1-(4-methylcyclohexyl)benzimidazol-5-amine
CID 62507500
1-(1,1-dioxothietan-3-yl)benzimidazol-5-amine
CID 172868617
4-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)quinazoline-4,6-diamine
CID 64588910
1-(2,3-dimethylcyclohexyl)benzimidazol-5-amine
CID 62508321
1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzimidazol-5-amine
CID 62507908
1-(2-cyclopentylethyl)benzimidazol-5-amine
CID 62507553
1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrrolidin-3-amine
CID 62840592

Frequently Asked Questions

What is the IUPAC name of 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzimidazol-5-amine?
The IUPAC name of 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzimidazol-5-amine (CID 62845453) is 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzimidazol-5-amine.
What is the SMILES notation for 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzimidazol-5-amine?
The canonical SMILES for 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzimidazol-5-amine is Nc1ccc2c(c1)ncn2C1CCCc2sccc21.
What is the InChIKey of 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzimidazol-5-amine?
The InChIKey is IXTXVRLQAZCYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S/c16-10-4-5-14-12(8-10)17-9-18(14)13-2-1-3-15-11(13)6-7-19-15/h4-9,13H,1-3,16H2.
What are the key properties of 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzimidazol-5-amine?
1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzimidazol-5-amine has a molecular weight of 269.37 g/mol, XLogP of 3.61, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzimidazol-5-amine is sourced from PubChem (CID 62845453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).