3-chloro-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-fluoroaniline

C10H11ClFN3 — CID 14878257

IUPAC3-chloro-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-fluoroaniline
SMILESFc1c(Cl)cccc1NCC1=NCCN1
InChIInChI=1S/C10H11ClFN3/c11-7-2-1-3-8(10(7)12)15-6-9-13-4-5-14-9/h1-3,15H,4-6H2,(H,13,14)
InChIKeyFHHRAOHZASBSCZ-UHFFFAOYSA-N
MW227.67 g/mol
LogP1.89
Rot. Bonds3

About 3-chloro-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-fluoroaniline

3-chloro-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-fluoroaniline (PubChem CID 14878257) has the molecular formula C10H11ClFN3 and a molecular weight of 227.67 g/mol. Its IUPAC name is 3-chloro-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-fluoroaniline.

Molecular Properties

Compound Name3-chloro-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-fluoroaniline
PubChem CID14878257
Molecular FormulaC10H11ClFN3
Molecular Weight227.67 g/mol
Exact Mass227.06
IUPAC Name3-chloro-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-fluoroaniline
SMILESFc1c(Cl)cccc1NCC1=NCCN1
InChIInChI=1S/C10H11ClFN3/c11-7-2-1-3-8(10(7)12)15-6-9-13-4-5-14-9/h1-3,15H,4-6H2,(H,13,14)
InChIKeyFHHRAOHZASBSCZ-UHFFFAOYSA-N
XLogP1.89
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.67
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-fluoroaniline?
The IUPAC name of 3-chloro-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-fluoroaniline (CID 14878257) is 3-chloro-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-fluoroaniline.
What is the SMILES notation for 3-chloro-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-fluoroaniline?
The canonical SMILES for 3-chloro-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-fluoroaniline is Fc1c(Cl)cccc1NCC1=NCCN1.
What is the InChIKey of 3-chloro-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-fluoroaniline?
The InChIKey is FHHRAOHZASBSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFN3/c11-7-2-1-3-8(10(7)12)15-6-9-13-4-5-14-9/h1-3,15H,4-6H2,(H,13,14).
What are the key properties of 3-chloro-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-fluoroaniline?
3-chloro-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-fluoroaniline has a molecular weight of 227.67 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-fluoroaniline is sourced from PubChem (CID 14878257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).