N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-1-(furan-2-yl)methanamine

C16H16FN3O — CID 42818517

IUPACN-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-1-(furan-2-yl)methanamine
SMILESFc1ccccc1Cn1ccnc1CNCc1ccco1
InChIInChI=1S/C16H16FN3O/c17-15-6-2-1-4-13(15)12-20-8-7-19-16(20)11-18-10-14-5-3-9-21-14/h1-9,18H,10-12H2
InChIKeyMVIKXVOXRNBGQL-UHFFFAOYSA-N
MW285.32 g/mol
LogP2.95
Rot. Bonds6

About N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-1-(furan-2-yl)methanamine

N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-1-(furan-2-yl)methanamine (PubChem CID 42818517) has the molecular formula C16H16FN3O and a molecular weight of 285.32 g/mol. Its IUPAC name is N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-1-(furan-2-yl)methanamine.

Molecular Properties

Compound NameN-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-1-(furan-2-yl)methanamine
PubChem CID42818517
Molecular FormulaC16H16FN3O
Molecular Weight285.32 g/mol
Exact Mass285.13
IUPAC NameN-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-1-(furan-2-yl)methanamine
SMILESFc1ccccc1Cn1ccnc1CNCc1ccco1
InChIInChI=1S/C16H16FN3O/c17-15-6-2-1-4-13(15)12-20-8-7-19-16(20)11-18-10-14-5-3-9-21-14/h1-9,18H,10-12H2
InChIKeyMVIKXVOXRNBGQL-UHFFFAOYSA-N
XLogP2.95
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-1-(furan-2-yl)methanamine?
The IUPAC name of N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-1-(furan-2-yl)methanamine (CID 42818517) is N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-1-(furan-2-yl)methanamine.
What is the SMILES notation for N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-1-(furan-2-yl)methanamine?
The canonical SMILES for N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-1-(furan-2-yl)methanamine is Fc1ccccc1Cn1ccnc1CNCc1ccco1.
What is the InChIKey of N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-1-(furan-2-yl)methanamine?
The InChIKey is MVIKXVOXRNBGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O/c17-15-6-2-1-4-13(15)12-20-8-7-19-16(20)11-18-10-14-5-3-9-21-14/h1-9,18H,10-12H2.
What are the key properties of N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-1-(furan-2-yl)methanamine?
N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-1-(furan-2-yl)methanamine has a molecular weight of 285.32 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-1-(furan-2-yl)methanamine is sourced from PubChem (CID 42818517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).