N'-(4,5-dihydro-1H-imidazol-2-yl)-N,N-diphenylpiperazine-1-carboximidamide

C20H24N6 — CID 57042227

IUPACN'-(4,5-dihydro-1H-imidazol-2-yl)-N,N-diphenylpiperazine-1-carboximidamide
SMILESc1ccc(N(C(=NC2=NCCN2)N2CCNCC2)c2ccccc2)cc1
InChIInChI=1S/C20H24N6/c1-3-7-17(8-4-1)26(18-9-5-2-6-10-18)20(24-19-22-11-12-23-19)25-15-13-21-14-16-25/h1-10,21H,11-16H2,(H,22,23)
InChIKeyYTLFKUODRDCVNP-UHFFFAOYSA-N
MW348.45 g/mol
LogP2.05
Rot. Bonds2

About N'-(4,5-dihydro-1H-imidazol-2-yl)-N,N-diphenylpiperazine-1-carboximidamide

N'-(4,5-dihydro-1H-imidazol-2-yl)-N,N-diphenylpiperazine-1-carboximidamide (PubChem CID 57042227) has the molecular formula C20H24N6 and a molecular weight of 348.45 g/mol. Its IUPAC name is N'-(4,5-dihydro-1H-imidazol-2-yl)-N,N-diphenylpiperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-(4,5-dihydro-1H-imidazol-2-yl)-N,N-diphenylpiperazine-1-carboximidamide
PubChem CID57042227
Molecular FormulaC20H24N6
Molecular Weight348.45 g/mol
Exact Mass348.21
IUPAC NameN'-(4,5-dihydro-1H-imidazol-2-yl)-N,N-diphenylpiperazine-1-carboximidamide
SMILESc1ccc(N(C(=NC2=NCCN2)N2CCNCC2)c2ccccc2)cc1
InChIInChI=1S/C20H24N6/c1-3-7-17(8-4-1)26(18-9-5-2-6-10-18)20(24-19-22-11-12-23-19)25-15-13-21-14-16-25/h1-10,21H,11-16H2,(H,22,23)
InChIKeyYTLFKUODRDCVNP-UHFFFAOYSA-N
XLogP2.05
TPSA55.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.05
H-Bond Donors ≤ 52
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'-(4,5-dihydro-1H-imidazol-2-yl)-N,N-diphenylpiperazine-1-carboximidamide?
The IUPAC name of N'-(4,5-dihydro-1H-imidazol-2-yl)-N,N-diphenylpiperazine-1-carboximidamide (CID 57042227) is N'-(4,5-dihydro-1H-imidazol-2-yl)-N,N-diphenylpiperazine-1-carboximidamide.
What is the SMILES notation for N'-(4,5-dihydro-1H-imidazol-2-yl)-N,N-diphenylpiperazine-1-carboximidamide?
The canonical SMILES for N'-(4,5-dihydro-1H-imidazol-2-yl)-N,N-diphenylpiperazine-1-carboximidamide is c1ccc(N(C(=NC2=NCCN2)N2CCNCC2)c2ccccc2)cc1.
What is the InChIKey of N'-(4,5-dihydro-1H-imidazol-2-yl)-N,N-diphenylpiperazine-1-carboximidamide?
The InChIKey is YTLFKUODRDCVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6/c1-3-7-17(8-4-1)26(18-9-5-2-6-10-18)20(24-19-22-11-12-23-19)25-15-13-21-14-16-25/h1-10,21H,11-16H2,(H,22,23).
What are the key properties of N'-(4,5-dihydro-1H-imidazol-2-yl)-N,N-diphenylpiperazine-1-carboximidamide?
N'-(4,5-dihydro-1H-imidazol-2-yl)-N,N-diphenylpiperazine-1-carboximidamide has a molecular weight of 348.45 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,5-dihydro-1H-imidazol-2-yl)-N,N-diphenylpiperazine-1-carboximidamide is sourced from PubChem (CID 57042227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).