N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-methoxydibenzofuran-3-amine

C18H16ClN3O2 — CID 78822745

IUPACN-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-methoxydibenzofuran-3-amine
SMILESCOc1cc2c(cc1NCc1ncc(Cl)n1C)oc1ccccc12
InChIInChI=1S/C18H16ClN3O2/c1-22-17(19)9-21-18(22)10-20-13-8-15-12(7-16(13)23-2)11-5-3-4-6-14(11)24-15/h3-9,20H,10H2,1-2H3
InChIKeyHDYLBBLPFSHCSF-UHFFFAOYSA-N
MW341.80 g/mol
LogP4.59
Rot. Bonds4

About N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-methoxydibenzofuran-3-amine

N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-methoxydibenzofuran-3-amine (PubChem CID 78822745) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-methoxydibenzofuran-3-amine.

Molecular Properties

Compound NameN-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-methoxydibenzofuran-3-amine
PubChem CID78822745
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC NameN-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-methoxydibenzofuran-3-amine
SMILESCOc1cc2c(cc1NCc1ncc(Cl)n1C)oc1ccccc12
InChIInChI=1S/C18H16ClN3O2/c1-22-17(19)9-21-18(22)10-20-13-8-15-12(7-16(13)23-2)11-5-3-4-6-14(11)24-15/h3-9,20H,10H2,1-2H3
InChIKeyHDYLBBLPFSHCSF-UHFFFAOYSA-N
XLogP4.59
TPSA52.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_alk_A(4)', 'substructure': 'N/A'}

Analyze N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-methoxydibenzofuran-3-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-methoxydibenzofuran-3-amine?
The IUPAC name of N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-methoxydibenzofuran-3-amine (CID 78822745) is N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-methoxydibenzofuran-3-amine.
What is the SMILES notation for N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-methoxydibenzofuran-3-amine?
The canonical SMILES for N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-methoxydibenzofuran-3-amine is COc1cc2c(cc1NCc1ncc(Cl)n1C)oc1ccccc12.
What is the InChIKey of N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-methoxydibenzofuran-3-amine?
The InChIKey is HDYLBBLPFSHCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c1-22-17(19)9-21-18(22)10-20-13-8-15-12(7-16(13)23-2)11-5-3-4-6-14(11)24-15/h3-9,20H,10H2,1-2H3.
What are the key properties of N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-methoxydibenzofuran-3-amine?
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-methoxydibenzofuran-3-amine has a molecular weight of 341.80 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-methoxydibenzofuran-3-amine is sourced from PubChem (CID 78822745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).