N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(furan-3-yl)methanamine

C10H12ClN3O — CID 115607872

IUPACN-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(furan-3-yl)methanamine
SMILESCn1c(Cl)cnc1CNCc1ccoc1
InChIInChI=1S/C10H12ClN3O/c1-14-9(11)5-13-10(14)6-12-4-8-2-3-15-7-8/h2-3,5,7,12H,4,6H2,1H3
InChIKeyWWZOFUFABPYRNF-UHFFFAOYSA-N
MW225.68 g/mol
LogP1.96
Rot. Bonds4

About N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(furan-3-yl)methanamine

N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(furan-3-yl)methanamine (PubChem CID 115607872) has the molecular formula C10H12ClN3O and a molecular weight of 225.68 g/mol. Its IUPAC name is N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(furan-3-yl)methanamine.

Molecular Properties

Compound NameN-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(furan-3-yl)methanamine
PubChem CID115607872
Molecular FormulaC10H12ClN3O
Molecular Weight225.68 g/mol
Exact Mass225.07
IUPAC NameN-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(furan-3-yl)methanamine
SMILESCn1c(Cl)cnc1CNCc1ccoc1
InChIInChI=1S/C10H12ClN3O/c1-14-9(11)5-13-10(14)6-12-4-8-2-3-15-7-8/h2-3,5,7,12H,4,6H2,1H3
InChIKeyWWZOFUFABPYRNF-UHFFFAOYSA-N
XLogP1.96
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(furan-3-yl)methanamine?
The IUPAC name of N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(furan-3-yl)methanamine (CID 115607872) is N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(furan-3-yl)methanamine.
What is the SMILES notation for N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(furan-3-yl)methanamine?
The canonical SMILES for N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(furan-3-yl)methanamine is Cn1c(Cl)cnc1CNCc1ccoc1.
What is the InChIKey of N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(furan-3-yl)methanamine?
The InChIKey is WWZOFUFABPYRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O/c1-14-9(11)5-13-10(14)6-12-4-8-2-3-15-7-8/h2-3,5,7,12H,4,6H2,1H3.
What are the key properties of N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(furan-3-yl)methanamine?
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(furan-3-yl)methanamine has a molecular weight of 225.68 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(furan-3-yl)methanamine is sourced from PubChem (CID 115607872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).