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

C10H10Cl2FN3 — CID 19889816

IUPAC(2,4-dichloro-3-fluorophenyl)-(4,5-dihydro-1H-imidazol-2-yl)methanamine
SMILESNC(C1=NCCN1)c1ccc(Cl)c(F)c1Cl
InChIInChI=1S/C10H10Cl2FN3/c11-6-2-1-5(7(12)8(6)13)9(14)10-15-3-4-16-10/h1-2,9H,3-4,14H2,(H,15,16)
InChIKeyRKDGZUXTYISNSZ-UHFFFAOYSA-N
MW262.12 g/mol
LogP2.13
Rot. Bonds2

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

(2,4-dichloro-3-fluorophenyl)-(4,5-dihydro-1H-imidazol-2-yl)methanamine (PubChem CID 19889816) has the molecular formula C10H10Cl2FN3 and a molecular weight of 262.12 g/mol. Its IUPAC name is (2,4-dichloro-3-fluorophenyl)-(4,5-dihydro-1H-imidazol-2-yl)methanamine.

Molecular Properties

Compound Name(2,4-dichloro-3-fluorophenyl)-(4,5-dihydro-1H-imidazol-2-yl)methanamine
PubChem CID19889816
Molecular FormulaC10H10Cl2FN3
Molecular Weight262.12 g/mol
Exact Mass261.02
IUPAC Name(2,4-dichloro-3-fluorophenyl)-(4,5-dihydro-1H-imidazol-2-yl)methanamine
SMILESNC(C1=NCCN1)c1ccc(Cl)c(F)c1Cl
InChIInChI=1S/C10H10Cl2FN3/c11-6-2-1-5(7(12)8(6)13)9(14)10-15-3-4-16-10/h1-2,9H,3-4,14H2,(H,15,16)
InChIKeyRKDGZUXTYISNSZ-UHFFFAOYSA-N
XLogP2.13
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.12
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,4-dichloro-3-fluorophenyl)-(4,5-dihydro-1H-imidazol-2-yl)methanamine?
The IUPAC name of (2,4-dichloro-3-fluorophenyl)-(4,5-dihydro-1H-imidazol-2-yl)methanamine (CID 19889816) is (2,4-dichloro-3-fluorophenyl)-(4,5-dihydro-1H-imidazol-2-yl)methanamine.
What is the SMILES notation for (2,4-dichloro-3-fluorophenyl)-(4,5-dihydro-1H-imidazol-2-yl)methanamine?
The canonical SMILES for (2,4-dichloro-3-fluorophenyl)-(4,5-dihydro-1H-imidazol-2-yl)methanamine is NC(C1=NCCN1)c1ccc(Cl)c(F)c1Cl.
What is the InChIKey of (2,4-dichloro-3-fluorophenyl)-(4,5-dihydro-1H-imidazol-2-yl)methanamine?
The InChIKey is RKDGZUXTYISNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2FN3/c11-6-2-1-5(7(12)8(6)13)9(14)10-15-3-4-16-10/h1-2,9H,3-4,14H2,(H,15,16).
What are the key properties of (2,4-dichloro-3-fluorophenyl)-(4,5-dihydro-1H-imidazol-2-yl)methanamine?
(2,4-dichloro-3-fluorophenyl)-(4,5-dihydro-1H-imidazol-2-yl)methanamine has a molecular weight of 262.12 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichloro-3-fluorophenyl)-(4,5-dihydro-1H-imidazol-2-yl)methanamine is sourced from PubChem (CID 19889816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).