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

C12H16BrN5 — CID 154012553

IUPACN'-[N'-(4-bromophenyl)carbamimidoyl]pyrrolidine-1-carboximidamide
SMILESNC(=N/C(N)=N/c1ccc(Br)cc1)N1CCCC1
InChIInChI=1S/C12H16BrN5/c13-9-3-5-10(6-4-9)16-11(14)17-12(15)18-7-1-2-8-18/h3-6H,1-2,7-8H2,(H4,14,15,16,17)
InChIKeyDXCUYAKBJGYMFK-UHFFFAOYSA-N
MW310.20 g/mol
LogP1.81
Rot. Bonds1

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

N'-[N'-(4-bromophenyl)carbamimidoyl]pyrrolidine-1-carboximidamide (PubChem CID 154012553) has the molecular formula C12H16BrN5 and a molecular weight of 310.20 g/mol. Its IUPAC name is N'-[N'-(4-bromophenyl)carbamimidoyl]pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[N'-(4-bromophenyl)carbamimidoyl]pyrrolidine-1-carboximidamide
PubChem CID154012553
Molecular FormulaC12H16BrN5
Molecular Weight310.20 g/mol
Exact Mass309.06
IUPAC NameN'-[N'-(4-bromophenyl)carbamimidoyl]pyrrolidine-1-carboximidamide
SMILESNC(=N/C(N)=N/c1ccc(Br)cc1)N1CCCC1
InChIInChI=1S/C12H16BrN5/c13-9-3-5-10(6-4-9)16-11(14)17-12(15)18-7-1-2-8-18/h3-6H,1-2,7-8H2,(H4,14,15,16,17)
InChIKeyDXCUYAKBJGYMFK-UHFFFAOYSA-N
XLogP1.81
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.20
LogP ≤ 51.81
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'}

Analyze N'-[N'-(4-bromophenyl)carbamimidoyl]pyrrolidine-1-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[N'-(4-aminophenyl)carbamimidoyl]pyrrolidine-1-carboximidamide
CID 154058076
N'-[N'-(4-phenylphenyl)carbamimidoyl]pyrrolidine-1-carboximidamide
CID 123601704
N'-[N'-(4-methoxyphenyl)carbamimidoyl]pyrrolidine-1-carboximidamide
CID 123407379
N'-[N'-[4-(2-aminoethyl)phenyl]carbamimidoyl]pyrrolidine-1-carboximidamide
CID 123594208
N'-[N'-(4-bromophenyl)carbamimidoyl]-3-methyl-2,5-dihydropyrrole-1-carboximidamide
CID 78320296
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-bromophenyl)methyl]carbamimidoyl]pyrrolidine-1-carboximidamide
CID 71513636
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
2-(4-bromophenyl)-1-(diaminomethylidene)guanidine
CID 29665

Frequently Asked Questions

What is the IUPAC name of N'-[N'-(4-bromophenyl)carbamimidoyl]pyrrolidine-1-carboximidamide?
The IUPAC name of N'-[N'-(4-bromophenyl)carbamimidoyl]pyrrolidine-1-carboximidamide (CID 154012553) is N'-[N'-(4-bromophenyl)carbamimidoyl]pyrrolidine-1-carboximidamide.
What is the SMILES notation for N'-[N'-(4-bromophenyl)carbamimidoyl]pyrrolidine-1-carboximidamide?
The canonical SMILES for N'-[N'-(4-bromophenyl)carbamimidoyl]pyrrolidine-1-carboximidamide is NC(=N/C(N)=N/c1ccc(Br)cc1)N1CCCC1.
What is the InChIKey of N'-[N'-(4-bromophenyl)carbamimidoyl]pyrrolidine-1-carboximidamide?
The InChIKey is DXCUYAKBJGYMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN5/c13-9-3-5-10(6-4-9)16-11(14)17-12(15)18-7-1-2-8-18/h3-6H,1-2,7-8H2,(H4,14,15,16,17).
What are the key properties of N'-[N'-(4-bromophenyl)carbamimidoyl]pyrrolidine-1-carboximidamide?
N'-[N'-(4-bromophenyl)carbamimidoyl]pyrrolidine-1-carboximidamide has a molecular weight of 310.20 g/mol, XLogP of 1.81, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[N'-(4-bromophenyl)carbamimidoyl]pyrrolidine-1-carboximidamide is sourced from PubChem (CID 154012553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).