N'-[1-(3-pyrrolidin-1-ylpropyl)indol-6-yl]thiophene-2-carboximidamide;dihydrochloride

C20H26Cl2N4S — CID 66912415

IUPACN'-[1-(3-pyrrolidin-1-ylpropyl)indol-6-yl]thiophene-2-carboximidamide;dihydrochloride
SMILESCl.Cl.N/C(=N\c1ccc2ccn(CCCN3CCCC3)c2c1)c1cccs1
InChIInChI=1S/C20H24N4S.2ClH/c21-20(19-5-3-14-25-19)22-17-7-6-16-8-13-24(18(16)15-17)12-4-11-23-9-1-2-10-23;;/h3,5-8,13-15H,1-2,4,9-12H2,(H2,21,22);2*1H
InChIKeyVYEXWSNMEIENDS-UHFFFAOYSA-N
MW425.43 g/mol
LogP5.07
Rot. Bonds6

About N'-[1-(3-pyrrolidin-1-ylpropyl)indol-6-yl]thiophene-2-carboximidamide;dihydrochloride

N'-[1-(3-pyrrolidin-1-ylpropyl)indol-6-yl]thiophene-2-carboximidamide;dihydrochloride (PubChem CID 66912415) has the molecular formula C20H26Cl2N4S and a molecular weight of 425.43 g/mol. Its IUPAC name is N'-[1-(3-pyrrolidin-1-ylpropyl)indol-6-yl]thiophene-2-carboximidamide;dihydrochloride.

Molecular Properties

Compound NameN'-[1-(3-pyrrolidin-1-ylpropyl)indol-6-yl]thiophene-2-carboximidamide;dihydrochloride
PubChem CID66912415
Molecular FormulaC20H26Cl2N4S
Molecular Weight425.43 g/mol
Exact Mass424.13
IUPAC NameN'-[1-(3-pyrrolidin-1-ylpropyl)indol-6-yl]thiophene-2-carboximidamide;dihydrochloride
SMILESCl.Cl.N/C(=N\c1ccc2ccn(CCCN3CCCC3)c2c1)c1cccs1
InChIInChI=1S/C20H24N4S.2ClH/c21-20(19-5-3-14-25-19)22-17-7-6-16-8-13-24(18(16)15-17)12-4-11-23-9-1-2-10-23;;/h3,5-8,13-15H,1-2,4,9-12H2,(H2,21,22);2*1H
InChIKeyVYEXWSNMEIENDS-UHFFFAOYSA-N
XLogP5.07
TPSA46.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.43
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[1-(3-pyrrolidin-1-ylpropyl)indol-6-yl]thiophene-2-carboximidamide;dihydrochloride?
The IUPAC name of N'-[1-(3-pyrrolidin-1-ylpropyl)indol-6-yl]thiophene-2-carboximidamide;dihydrochloride (CID 66912415) is N'-[1-(3-pyrrolidin-1-ylpropyl)indol-6-yl]thiophene-2-carboximidamide;dihydrochloride.
What is the SMILES notation for N'-[1-(3-pyrrolidin-1-ylpropyl)indol-6-yl]thiophene-2-carboximidamide;dihydrochloride?
The canonical SMILES for N'-[1-(3-pyrrolidin-1-ylpropyl)indol-6-yl]thiophene-2-carboximidamide;dihydrochloride is Cl.Cl.N/C(=N\c1ccc2ccn(CCCN3CCCC3)c2c1)c1cccs1.
What is the InChIKey of N'-[1-(3-pyrrolidin-1-ylpropyl)indol-6-yl]thiophene-2-carboximidamide;dihydrochloride?
The InChIKey is VYEXWSNMEIENDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4S.2ClH/c21-20(19-5-3-14-25-19)22-17-7-6-16-8-13-24(18(16)15-17)12-4-11-23-9-1-2-10-23;;/h3,5-8,13-15H,1-2,4,9-12H2,(H2,21,22);2*1H.
What are the key properties of N'-[1-(3-pyrrolidin-1-ylpropyl)indol-6-yl]thiophene-2-carboximidamide;dihydrochloride?
N'-[1-(3-pyrrolidin-1-ylpropyl)indol-6-yl]thiophene-2-carboximidamide;dihydrochloride has a molecular weight of 425.43 g/mol, XLogP of 5.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(3-pyrrolidin-1-ylpropyl)indol-6-yl]thiophene-2-carboximidamide;dihydrochloride is sourced from PubChem (CID 66912415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).