5-(4-chlorophenyl)-N-(furan-3-ylmethyl)-N-methyl-4,5-dihydro-1H-imidazol-2-amine

C15H16ClN3O — CID 166366986

IUPAC5-(4-chlorophenyl)-N-(furan-3-ylmethyl)-N-methyl-4,5-dihydro-1H-imidazol-2-amine
SMILESCN(Cc1ccoc1)C1=NCC(c2ccc(Cl)cc2)N1
InChIInChI=1S/C15H16ClN3O/c1-19(9-11-6-7-20-10-11)15-17-8-14(18-15)12-2-4-13(16)5-3-12/h2-7,10,14H,8-9H2,1H3,(H,17,18)
InChIKeyDTSTURKIYGMGQK-UHFFFAOYSA-N
MW289.77 g/mol
LogP3.07
Rot. Bonds3

About 5-(4-chlorophenyl)-N-(furan-3-ylmethyl)-N-methyl-4,5-dihydro-1H-imidazol-2-amine

5-(4-chlorophenyl)-N-(furan-3-ylmethyl)-N-methyl-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 166366986) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-(furan-3-ylmethyl)-N-methyl-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-(furan-3-ylmethyl)-N-methyl-4,5-dihydro-1H-imidazol-2-amine
PubChem CID166366986
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name5-(4-chlorophenyl)-N-(furan-3-ylmethyl)-N-methyl-4,5-dihydro-1H-imidazol-2-amine
SMILESCN(Cc1ccoc1)C1=NCC(c2ccc(Cl)cc2)N1
InChIInChI=1S/C15H16ClN3O/c1-19(9-11-6-7-20-10-11)15-17-8-14(18-15)12-2-4-13(16)5-3-12/h2-7,10,14H,8-9H2,1H3,(H,17,18)
InChIKeyDTSTURKIYGMGQK-UHFFFAOYSA-N
XLogP3.07
TPSA40.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-(furan-3-ylmethyl)-N-methyl-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of 5-(4-chlorophenyl)-N-(furan-3-ylmethyl)-N-methyl-4,5-dihydro-1H-imidazol-2-amine (CID 166366986) is 5-(4-chlorophenyl)-N-(furan-3-ylmethyl)-N-methyl-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-N-(furan-3-ylmethyl)-N-methyl-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for 5-(4-chlorophenyl)-N-(furan-3-ylmethyl)-N-methyl-4,5-dihydro-1H-imidazol-2-amine is CN(Cc1ccoc1)C1=NCC(c2ccc(Cl)cc2)N1.
What is the InChIKey of 5-(4-chlorophenyl)-N-(furan-3-ylmethyl)-N-methyl-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is DTSTURKIYGMGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-19(9-11-6-7-20-10-11)15-17-8-14(18-15)12-2-4-13(16)5-3-12/h2-7,10,14H,8-9H2,1H3,(H,17,18).
What are the key properties of 5-(4-chlorophenyl)-N-(furan-3-ylmethyl)-N-methyl-4,5-dihydro-1H-imidazol-2-amine?
5-(4-chlorophenyl)-N-(furan-3-ylmethyl)-N-methyl-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 289.77 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-(furan-3-ylmethyl)-N-methyl-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 166366986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).