(3-chloro-2-fluorophenyl)-(4,5-dihydro-1H-imidazol-2-yl)methanamine

C10H11ClFN3 — CID 19889733

IUPAC(3-chloro-2-fluorophenyl)-(4,5-dihydro-1H-imidazol-2-yl)methanamine
SMILESNC(C1=NCCN1)c1cccc(Cl)c1F
InChIInChI=1S/C10H11ClFN3/c11-7-3-1-2-6(8(7)12)9(13)10-14-4-5-15-10/h1-3,9H,4-5,13H2,(H,14,15)
InChIKeyDJECHNFBGXIJLP-UHFFFAOYSA-N
MW227.67 g/mol
LogP1.48
Rot. Bonds2

About (3-chloro-2-fluorophenyl)-(4,5-dihydro-1H-imidazol-2-yl)methanamine

(3-chloro-2-fluorophenyl)-(4,5-dihydro-1H-imidazol-2-yl)methanamine (PubChem CID 19889733) has the molecular formula C10H11ClFN3 and a molecular weight of 227.67 g/mol. Its IUPAC name is (3-chloro-2-fluorophenyl)-(4,5-dihydro-1H-imidazol-2-yl)methanamine.

Molecular Properties

Compound Name(3-chloro-2-fluorophenyl)-(4,5-dihydro-1H-imidazol-2-yl)methanamine
PubChem CID19889733
Molecular FormulaC10H11ClFN3
Molecular Weight227.67 g/mol
Exact Mass227.06
IUPAC Name(3-chloro-2-fluorophenyl)-(4,5-dihydro-1H-imidazol-2-yl)methanamine
SMILESNC(C1=NCCN1)c1cccc(Cl)c1F
InChIInChI=1S/C10H11ClFN3/c11-7-3-1-2-6(8(7)12)9(13)10-14-4-5-15-10/h1-3,9H,4-5,13H2,(H,14,15)
InChIKeyDJECHNFBGXIJLP-UHFFFAOYSA-N
XLogP1.48
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.67
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-fluorophenyl)-(4,5-dihydro-1H-imidazol-2-yl)methanamine?
The IUPAC name of (3-chloro-2-fluorophenyl)-(4,5-dihydro-1H-imidazol-2-yl)methanamine (CID 19889733) is (3-chloro-2-fluorophenyl)-(4,5-dihydro-1H-imidazol-2-yl)methanamine.
What is the SMILES notation for (3-chloro-2-fluorophenyl)-(4,5-dihydro-1H-imidazol-2-yl)methanamine?
The canonical SMILES for (3-chloro-2-fluorophenyl)-(4,5-dihydro-1H-imidazol-2-yl)methanamine is NC(C1=NCCN1)c1cccc(Cl)c1F.
What is the InChIKey of (3-chloro-2-fluorophenyl)-(4,5-dihydro-1H-imidazol-2-yl)methanamine?
The InChIKey is DJECHNFBGXIJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFN3/c11-7-3-1-2-6(8(7)12)9(13)10-14-4-5-15-10/h1-3,9H,4-5,13H2,(H,14,15).
What are the key properties of (3-chloro-2-fluorophenyl)-(4,5-dihydro-1H-imidazol-2-yl)methanamine?
(3-chloro-2-fluorophenyl)-(4,5-dihydro-1H-imidazol-2-yl)methanamine has a molecular weight of 227.67 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-fluorophenyl)-(4,5-dihydro-1H-imidazol-2-yl)methanamine is sourced from PubChem (CID 19889733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).