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

C15H15N3S — CID 25157556

IUPACN-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1H-benzimidazol-2-amine
SMILESc1ccc2[nH]c(NC3CCCc4sccc43)nc2c1
InChIInChI=1S/C15H15N3S/c1-2-5-13-12(4-1)17-15(18-13)16-11-6-3-7-14-10(11)8-9-19-14/h1-2,4-5,8-9,11H,3,6-7H2,(H2,16,17,18)
InChIKeyGUNCRGOWHVVDBR-UHFFFAOYSA-N
MW269.37 g/mol
LogP4.11
Rot. Bonds2

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

N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1H-benzimidazol-2-amine (PubChem CID 25157556) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1H-benzimidazol-2-amine
PubChem CID25157556
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC NameN-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1H-benzimidazol-2-amine
SMILESc1ccc2[nH]c(NC3CCCc4sccc43)nc2c1
InChIInChI=1S/C15H15N3S/c1-2-5-13-12(4-1)17-15(18-13)16-11-6-3-7-14-10(11)8-9-19-14/h1-2,4-5,8-9,11H,3,6-7H2,(H2,16,17,18)
InChIKeyGUNCRGOWHVVDBR-UHFFFAOYSA-N
XLogP4.11
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1H-benzimidazol-2-amine?
The IUPAC name of N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1H-benzimidazol-2-amine (CID 25157556) is N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1H-benzimidazol-2-amine.
What is the SMILES notation for N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1H-benzimidazol-2-amine?
The canonical SMILES for N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1H-benzimidazol-2-amine is c1ccc2[nH]c(NC3CCCc4sccc43)nc2c1.
What is the InChIKey of N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1H-benzimidazol-2-amine?
The InChIKey is GUNCRGOWHVVDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S/c1-2-5-13-12(4-1)17-15(18-13)16-11-6-3-7-14-10(11)8-9-19-14/h1-2,4-5,8-9,11H,3,6-7H2,(H2,16,17,18).
What are the key properties of N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1H-benzimidazol-2-amine?
N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1H-benzimidazol-2-amine has a molecular weight of 269.37 g/mol, XLogP of 4.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1H-benzimidazol-2-amine is sourced from PubChem (CID 25157556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).