N'-[N'-(4-phenylphenyl)carbamimidoyl]pyrrolidine-1-carboximidamide

C18H21N5 — CID 123601704

IUPACN'-[N'-(4-phenylphenyl)carbamimidoyl]pyrrolidine-1-carboximidamide
SMILESNC(=N/C(N)=N/c1ccc(-c2ccccc2)cc1)N1CCCC1
InChIInChI=1S/C18H21N5/c19-17(22-18(20)23-12-4-5-13-23)21-16-10-8-15(9-11-16)14-6-2-1-3-7-14/h1-3,6-11H,4-5,12-13H2,(H4,19,20,21,22)
InChIKeyVIYCTFZMZHUVJL-UHFFFAOYSA-N
MW307.40 g/mol
LogP2.71
Rot. Bonds2

About N'-[N'-(4-phenylphenyl)carbamimidoyl]pyrrolidine-1-carboximidamide

N'-[N'-(4-phenylphenyl)carbamimidoyl]pyrrolidine-1-carboximidamide (PubChem CID 123601704) has the molecular formula C18H21N5 and a molecular weight of 307.40 g/mol. Its IUPAC name is N'-[N'-(4-phenylphenyl)carbamimidoyl]pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[N'-(4-phenylphenyl)carbamimidoyl]pyrrolidine-1-carboximidamide
PubChem CID123601704
Molecular FormulaC18H21N5
Molecular Weight307.40 g/mol
Exact Mass307.18
IUPAC NameN'-[N'-(4-phenylphenyl)carbamimidoyl]pyrrolidine-1-carboximidamide
SMILESNC(=N/C(N)=N/c1ccc(-c2ccccc2)cc1)N1CCCC1
InChIInChI=1S/C18H21N5/c19-17(22-18(20)23-12-4-5-13-23)21-16-10-8-15(9-11-16)14-6-2-1-3-7-14/h1-3,6-11H,4-5,12-13H2,(H4,19,20,21,22)
InChIKeyVIYCTFZMZHUVJL-UHFFFAOYSA-N
XLogP2.71
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N'-[N'-(4-aminophenyl)carbamimidoyl]pyrrolidine-1-carboximidamide
CID 154058076
N'-[N'-(4-bromophenyl)carbamimidoyl]pyrrolidine-1-carboximidamide
CID 154012553
N'-[N'-(4-methoxyphenyl)carbamimidoyl]pyrrolidine-1-carboximidamide
CID 123407379
N'-[N'-[4-(2-aminoethyl)phenyl]carbamimidoyl]pyrrolidine-1-carboximidamide
CID 123594208
N'-[N'-(3-phenoxyphenyl)carbamimidoyl]pyrrolidine-1-carboximidamide
CID 118055936
4-[[amino-[(Z)-[amino(piperidin-1-yl)methylidene]amino]methylidene]amino]benzenesulfonic acid;hydrochloride
CID 156631539
N'-[N'-(4-methylsulfanylphenyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride
CID 141426691
N'-[N'-[4-(trifluoromethoxy)phenyl]carbamimidoyl]pyrrolidine-1-carboximidamide
CID 78092899
N'-[N'-[4-(trifluoromethyl)phenyl]carbamimidoyl]azetidine-1-carboximidamide;hydrochloride
CID 172724102
N'-[N'-[4-(trifluoromethoxy)phenyl]carbamimidoyl]pyrrolidine-1-carboximidamide;hydrochloride
CID 171158004
N'-[N'-(3-chlorophenyl)carbamimidoyl]piperidine-1-carboximidamide
CID 141426673
N'-[N'-[4-(trifluoromethoxy)phenyl]carbamimidoyl]piperidine-1-carboximidamide;dihydrochloride
CID 142720633

Frequently Asked Questions

What is the IUPAC name of N'-[N'-(4-phenylphenyl)carbamimidoyl]pyrrolidine-1-carboximidamide?
The IUPAC name of N'-[N'-(4-phenylphenyl)carbamimidoyl]pyrrolidine-1-carboximidamide (CID 123601704) is N'-[N'-(4-phenylphenyl)carbamimidoyl]pyrrolidine-1-carboximidamide.
What is the SMILES notation for N'-[N'-(4-phenylphenyl)carbamimidoyl]pyrrolidine-1-carboximidamide?
The canonical SMILES for N'-[N'-(4-phenylphenyl)carbamimidoyl]pyrrolidine-1-carboximidamide is NC(=N/C(N)=N/c1ccc(-c2ccccc2)cc1)N1CCCC1.
What is the InChIKey of N'-[N'-(4-phenylphenyl)carbamimidoyl]pyrrolidine-1-carboximidamide?
The InChIKey is VIYCTFZMZHUVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5/c19-17(22-18(20)23-12-4-5-13-23)21-16-10-8-15(9-11-16)14-6-2-1-3-7-14/h1-3,6-11H,4-5,12-13H2,(H4,19,20,21,22).
What are the key properties of N'-[N'-(4-phenylphenyl)carbamimidoyl]pyrrolidine-1-carboximidamide?
N'-[N'-(4-phenylphenyl)carbamimidoyl]pyrrolidine-1-carboximidamide has a molecular weight of 307.40 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[N'-(4-phenylphenyl)carbamimidoyl]pyrrolidine-1-carboximidamide is sourced from PubChem (CID 123601704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).