1-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)cyclopropan-1-amine;dihydrochloride

C15H20Cl3N3 — CID 19429364

IUPAC1-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)cyclopropan-1-amine;dihydrochloride
SMILESCl.Cl.Clc1ccc(C2(NCCCn3ccnc3)CC2)cc1
InChIInChI=1S/C15H18ClN3.2ClH/c16-14-4-2-13(3-5-14)15(6-7-15)18-8-1-10-19-11-9-17-12-19;;/h2-5,9,11-12,18H,1,6-8,10H2;2*1H
InChIKeyCUDWVSFRYCMDCX-UHFFFAOYSA-N
MW348.71 g/mol
LogP4.05
Rot. Bonds6

About 1-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)cyclopropan-1-amine;dihydrochloride

1-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)cyclopropan-1-amine;dihydrochloride (PubChem CID 19429364) has the molecular formula C15H20Cl3N3 and a molecular weight of 348.71 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)cyclopropan-1-amine;dihydrochloride.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)cyclopropan-1-amine;dihydrochloride
PubChem CID19429364
Molecular FormulaC15H20Cl3N3
Molecular Weight348.71 g/mol
Exact Mass347.07
IUPAC Name1-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)cyclopropan-1-amine;dihydrochloride
SMILESCl.Cl.Clc1ccc(C2(NCCCn3ccnc3)CC2)cc1
InChIInChI=1S/C15H18ClN3.2ClH/c16-14-4-2-13(3-5-14)15(6-7-15)18-8-1-10-19-11-9-17-12-19;;/h2-5,9,11-12,18H,1,6-8,10H2;2*1H
InChIKeyCUDWVSFRYCMDCX-UHFFFAOYSA-N
XLogP4.05
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.71
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)cyclopropan-1-amine;dihydrochloride?
The IUPAC name of 1-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)cyclopropan-1-amine;dihydrochloride (CID 19429364) is 1-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)cyclopropan-1-amine;dihydrochloride.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)cyclopropan-1-amine;dihydrochloride?
The canonical SMILES for 1-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)cyclopropan-1-amine;dihydrochloride is Cl.Cl.Clc1ccc(C2(NCCCn3ccnc3)CC2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)cyclopropan-1-amine;dihydrochloride?
The InChIKey is CUDWVSFRYCMDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3.2ClH/c16-14-4-2-13(3-5-14)15(6-7-15)18-8-1-10-19-11-9-17-12-19;;/h2-5,9,11-12,18H,1,6-8,10H2;2*1H.
What are the key properties of 1-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)cyclopropan-1-amine;dihydrochloride?
1-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)cyclopropan-1-amine;dihydrochloride has a molecular weight of 348.71 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)cyclopropan-1-amine;dihydrochloride is sourced from PubChem (CID 19429364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).