4-(4-bromophenyl)-1-[(E)-(2-chloroquinolin-3-yl)methylideneamino]imidazol-2-amine

C19H13BrClN5 — CID 118716238

IUPAC4-(4-bromophenyl)-1-[(E)-(2-chloroquinolin-3-yl)methylideneamino]imidazol-2-amine
SMILESNc1nc(-c2ccc(Br)cc2)cn1/N=C/c1cc2ccccc2nc1Cl
InChIInChI=1S/C19H13BrClN5/c20-15-7-5-12(6-8-15)17-11-26(19(22)25-17)23-10-14-9-13-3-1-2-4-16(13)24-18(14)21/h1-11H,(H2,22,25)/b23-10+
InChIKeyUGRVWDKUGHGWAE-AUEPDCJTSA-N
MW426.71 g/mol
LogP4.98
Rot. Bonds3

About 4-(4-bromophenyl)-1-[(E)-(2-chloroquinolin-3-yl)methylideneamino]imidazol-2-amine

4-(4-bromophenyl)-1-[(E)-(2-chloroquinolin-3-yl)methylideneamino]imidazol-2-amine (PubChem CID 118716238) has the molecular formula C19H13BrClN5 and a molecular weight of 426.71 g/mol. Its IUPAC name is 4-(4-bromophenyl)-1-[(E)-(2-chloroquinolin-3-yl)methylideneamino]imidazol-2-amine.

Molecular Properties

Compound Name4-(4-bromophenyl)-1-[(E)-(2-chloroquinolin-3-yl)methylideneamino]imidazol-2-amine
PubChem CID118716238
Molecular FormulaC19H13BrClN5
Molecular Weight426.71 g/mol
Exact Mass425.00
IUPAC Name4-(4-bromophenyl)-1-[(E)-(2-chloroquinolin-3-yl)methylideneamino]imidazol-2-amine
SMILESNc1nc(-c2ccc(Br)cc2)cn1/N=C/c1cc2ccccc2nc1Cl
InChIInChI=1S/C19H13BrClN5/c20-15-7-5-12(6-8-15)17-11-26(19(22)25-17)23-10-14-9-13-3-1-2-4-16(13)24-18(14)21/h1-11H,(H2,22,25)/b23-10+
InChIKeyUGRVWDKUGHGWAE-AUEPDCJTSA-N
XLogP4.98
TPSA69.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.71
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-1-[(E)-(2-chloroquinolin-3-yl)methylideneamino]imidazol-2-amine?
The IUPAC name of 4-(4-bromophenyl)-1-[(E)-(2-chloroquinolin-3-yl)methylideneamino]imidazol-2-amine (CID 118716238) is 4-(4-bromophenyl)-1-[(E)-(2-chloroquinolin-3-yl)methylideneamino]imidazol-2-amine.
What is the SMILES notation for 4-(4-bromophenyl)-1-[(E)-(2-chloroquinolin-3-yl)methylideneamino]imidazol-2-amine?
The canonical SMILES for 4-(4-bromophenyl)-1-[(E)-(2-chloroquinolin-3-yl)methylideneamino]imidazol-2-amine is Nc1nc(-c2ccc(Br)cc2)cn1/N=C/c1cc2ccccc2nc1Cl.
What is the InChIKey of 4-(4-bromophenyl)-1-[(E)-(2-chloroquinolin-3-yl)methylideneamino]imidazol-2-amine?
The InChIKey is UGRVWDKUGHGWAE-AUEPDCJTSA-N. The full InChI is InChI=1S/C19H13BrClN5/c20-15-7-5-12(6-8-15)17-11-26(19(22)25-17)23-10-14-9-13-3-1-2-4-16(13)24-18(14)21/h1-11H,(H2,22,25)/b23-10+.
What are the key properties of 4-(4-bromophenyl)-1-[(E)-(2-chloroquinolin-3-yl)methylideneamino]imidazol-2-amine?
4-(4-bromophenyl)-1-[(E)-(2-chloroquinolin-3-yl)methylideneamino]imidazol-2-amine has a molecular weight of 426.71 g/mol, XLogP of 4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-1-[(E)-(2-chloroquinolin-3-yl)methylideneamino]imidazol-2-amine is sourced from PubChem (CID 118716238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).