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

C16H17N3S — CID 62842817

IUPAC2-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzimidazol-5-amine
SMILESCc1nc2cc(N)ccc2n1C1CCCc2sccc21
InChIInChI=1S/C16H17N3S/c1-10-18-13-9-11(17)5-6-15(13)19(10)14-3-2-4-16-12(14)7-8-20-16/h5-9,14H,2-4,17H2,1H3
InChIKeyBNAVSVGJCLCZDH-UHFFFAOYSA-N
MW283.40 g/mol
LogP3.91
Rot. Bonds1

About 2-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzimidazol-5-amine

2-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzimidazol-5-amine (PubChem CID 62842817) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is 2-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzimidazol-5-amine.

Molecular Properties

Compound Name2-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzimidazol-5-amine
PubChem CID62842817
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC Name2-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzimidazol-5-amine
SMILESCc1nc2cc(N)ccc2n1C1CCCc2sccc21
InChIInChI=1S/C16H17N3S/c1-10-18-13-9-11(17)5-6-15(13)19(10)14-3-2-4-16-12(14)7-8-20-16/h5-9,14H,2-4,17H2,1H3
InChIKeyBNAVSVGJCLCZDH-UHFFFAOYSA-N
XLogP3.91
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzimidazol-5-amine
CID 62845453
5-iodo-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzimidazol-2-amine
CID 66080019
2-(5-amino-2-methylbenzimidazol-1-yl)cyclohexan-1-ol
CID 62506404
5-methyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrazol-3-amine
CID 62840410
2-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,3-dihydroisoindol-5-amine
CID 62842813
1-(4-ethylcyclohexyl)-2-methylbenzimidazol-5-amine
CID 62506898
2-methyl-1-(2-propylcyclopropyl)benzimidazol-5-amine
CID 114112055
1-(3,3-dimethylcyclopentyl)-2-methylbenzimidazol-5-amine
CID 114541151
6-chloro-2-(chloromethyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzimidazole
CID 115471476
2-methylbenzimidazole-1,5-diamine
CID 83418174
4-(5-amino-2-methylbenzimidazol-1-yl)pyrrolidin-2-one
CID 106186996
3-ethyl-1-methyl-6-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)imidazo[4,5-d]pyrazol-5-amine
CID 79281757

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzimidazol-5-amine?
The IUPAC name of 2-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzimidazol-5-amine (CID 62842817) is 2-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzimidazol-5-amine.
What is the SMILES notation for 2-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzimidazol-5-amine?
The canonical SMILES for 2-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzimidazol-5-amine is Cc1nc2cc(N)ccc2n1C1CCCc2sccc21.
What is the InChIKey of 2-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzimidazol-5-amine?
The InChIKey is BNAVSVGJCLCZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c1-10-18-13-9-11(17)5-6-15(13)19(10)14-3-2-4-16-12(14)7-8-20-16/h5-9,14H,2-4,17H2,1H3.
What are the key properties of 2-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzimidazol-5-amine?
2-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzimidazol-5-amine has a molecular weight of 283.40 g/mol, XLogP of 3.91, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzimidazol-5-amine is sourced from PubChem (CID 62842817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).