5-(3-chlorophenyl)-1-methyl-N-[(5-methylfuran-2-yl)methyl]imidazol-2-amine

C16H16ClN3O — CID 45147023

IUPAC5-(3-chlorophenyl)-1-methyl-N-[(5-methylfuran-2-yl)methyl]imidazol-2-amine
SMILESCc1ccc(CNc2ncc(-c3cccc(Cl)c3)n2C)o1
InChIInChI=1S/C16H16ClN3O/c1-11-6-7-14(21-11)9-18-16-19-10-15(20(16)2)12-4-3-5-13(17)8-12/h3-8,10H,9H2,1-2H3,(H,18,19)
InChIKeyIQHRBKOHGAJMFQ-UHFFFAOYSA-N
MW301.78 g/mol
LogP4.25
Rot. Bonds4

About 5-(3-chlorophenyl)-1-methyl-N-[(5-methylfuran-2-yl)methyl]imidazol-2-amine

5-(3-chlorophenyl)-1-methyl-N-[(5-methylfuran-2-yl)methyl]imidazol-2-amine (PubChem CID 45147023) has the molecular formula C16H16ClN3O and a molecular weight of 301.78 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-1-methyl-N-[(5-methylfuran-2-yl)methyl]imidazol-2-amine.

Molecular Properties

Compound Name5-(3-chlorophenyl)-1-methyl-N-[(5-methylfuran-2-yl)methyl]imidazol-2-amine
PubChem CID45147023
Molecular FormulaC16H16ClN3O
Molecular Weight301.78 g/mol
Exact Mass301.10
IUPAC Name5-(3-chlorophenyl)-1-methyl-N-[(5-methylfuran-2-yl)methyl]imidazol-2-amine
SMILESCc1ccc(CNc2ncc(-c3cccc(Cl)c3)n2C)o1
InChIInChI=1S/C16H16ClN3O/c1-11-6-7-14(21-11)9-18-16-19-10-15(20(16)2)12-4-3-5-13(17)8-12/h3-8,10H,9H2,1-2H3,(H,18,19)
InChIKeyIQHRBKOHGAJMFQ-UHFFFAOYSA-N
XLogP4.25
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-1-methyl-N-[(5-methylfuran-2-yl)methyl]imidazol-2-amine?
The IUPAC name of 5-(3-chlorophenyl)-1-methyl-N-[(5-methylfuran-2-yl)methyl]imidazol-2-amine (CID 45147023) is 5-(3-chlorophenyl)-1-methyl-N-[(5-methylfuran-2-yl)methyl]imidazol-2-amine.
What is the SMILES notation for 5-(3-chlorophenyl)-1-methyl-N-[(5-methylfuran-2-yl)methyl]imidazol-2-amine?
The canonical SMILES for 5-(3-chlorophenyl)-1-methyl-N-[(5-methylfuran-2-yl)methyl]imidazol-2-amine is Cc1ccc(CNc2ncc(-c3cccc(Cl)c3)n2C)o1.
What is the InChIKey of 5-(3-chlorophenyl)-1-methyl-N-[(5-methylfuran-2-yl)methyl]imidazol-2-amine?
The InChIKey is IQHRBKOHGAJMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O/c1-11-6-7-14(21-11)9-18-16-19-10-15(20(16)2)12-4-3-5-13(17)8-12/h3-8,10H,9H2,1-2H3,(H,18,19).
What are the key properties of 5-(3-chlorophenyl)-1-methyl-N-[(5-methylfuran-2-yl)methyl]imidazol-2-amine?
5-(3-chlorophenyl)-1-methyl-N-[(5-methylfuran-2-yl)methyl]imidazol-2-amine has a molecular weight of 301.78 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-1-methyl-N-[(5-methylfuran-2-yl)methyl]imidazol-2-amine is sourced from PubChem (CID 45147023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).