N-(3,4-dichlorophenyl)-N'-(1-propan-2-ylimidazol-2-yl)piperidine-1-carboximidamide

C18H23Cl2N5 — CID 70983928

IUPACN-(3,4-dichlorophenyl)-N'-(1-propan-2-ylimidazol-2-yl)piperidine-1-carboximidamide
SMILESCC(C)n1ccnc1N=C(Nc1ccc(Cl)c(Cl)c1)N1CCCCC1
InChIInChI=1S/C18H23Cl2N5/c1-13(2)25-11-8-21-17(25)23-18(24-9-4-3-5-10-24)22-14-6-7-15(19)16(20)12-14/h6-8,11-13H,3-5,9-10H2,1-2H3,(H,21,22,23)
InChIKeyULNNVWXVSZSSRX-UHFFFAOYSA-N
MW380.32 g/mol
LogP5.36
Rot. Bonds3

About N-(3,4-dichlorophenyl)-N'-(1-propan-2-ylimidazol-2-yl)piperidine-1-carboximidamide

N-(3,4-dichlorophenyl)-N'-(1-propan-2-ylimidazol-2-yl)piperidine-1-carboximidamide (PubChem CID 70983928) has the molecular formula C18H23Cl2N5 and a molecular weight of 380.32 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-N'-(1-propan-2-ylimidazol-2-yl)piperidine-1-carboximidamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-N'-(1-propan-2-ylimidazol-2-yl)piperidine-1-carboximidamide
PubChem CID70983928
Molecular FormulaC18H23Cl2N5
Molecular Weight380.32 g/mol
Exact Mass379.13
IUPAC NameN-(3,4-dichlorophenyl)-N'-(1-propan-2-ylimidazol-2-yl)piperidine-1-carboximidamide
SMILESCC(C)n1ccnc1N=C(Nc1ccc(Cl)c(Cl)c1)N1CCCCC1
InChIInChI=1S/C18H23Cl2N5/c1-13(2)25-11-8-21-17(25)23-18(24-9-4-3-5-10-24)22-14-6-7-15(19)16(20)12-14/h6-8,11-13H,3-5,9-10H2,1-2H3,(H,21,22,23)
InChIKeyULNNVWXVSZSSRX-UHFFFAOYSA-N
XLogP5.36
TPSA45.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.32
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(3,4-dichlorophenyl)-N'-(1-propan-2-ylimidazol-2-yl)piperidine-1-carboximidamide?
The IUPAC name of N-(3,4-dichlorophenyl)-N'-(1-propan-2-ylimidazol-2-yl)piperidine-1-carboximidamide (CID 70983928) is N-(3,4-dichlorophenyl)-N'-(1-propan-2-ylimidazol-2-yl)piperidine-1-carboximidamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-N'-(1-propan-2-ylimidazol-2-yl)piperidine-1-carboximidamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-N'-(1-propan-2-ylimidazol-2-yl)piperidine-1-carboximidamide is CC(C)n1ccnc1N=C(Nc1ccc(Cl)c(Cl)c1)N1CCCCC1.
What is the InChIKey of N-(3,4-dichlorophenyl)-N'-(1-propan-2-ylimidazol-2-yl)piperidine-1-carboximidamide?
The InChIKey is ULNNVWXVSZSSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23Cl2N5/c1-13(2)25-11-8-21-17(25)23-18(24-9-4-3-5-10-24)22-14-6-7-15(19)16(20)12-14/h6-8,11-13H,3-5,9-10H2,1-2H3,(H,21,22,23).
What are the key properties of N-(3,4-dichlorophenyl)-N'-(1-propan-2-ylimidazol-2-yl)piperidine-1-carboximidamide?
N-(3,4-dichlorophenyl)-N'-(1-propan-2-ylimidazol-2-yl)piperidine-1-carboximidamide has a molecular weight of 380.32 g/mol, XLogP of 5.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-N'-(1-propan-2-ylimidazol-2-yl)piperidine-1-carboximidamide is sourced from PubChem (CID 70983928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).