2-[1-[(4-chloro-3-fluorophenyl)methyl]imidazol-2-yl]ethanamine

C12H13ClFN3 — CID 107886659

IUPAC2-[1-[(4-chloro-3-fluorophenyl)methyl]imidazol-2-yl]ethanamine
SMILESNCCc1nccn1Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C12H13ClFN3/c13-10-2-1-9(7-11(10)14)8-17-6-5-16-12(17)3-4-15/h1-2,5-7H,3-4,8,15H2
InChIKeySYQBCPIFMVCDKS-UHFFFAOYSA-N
MW253.71 g/mol
LogP2.23
Rot. Bonds4

About 2-[1-[(4-chloro-3-fluorophenyl)methyl]imidazol-2-yl]ethanamine

2-[1-[(4-chloro-3-fluorophenyl)methyl]imidazol-2-yl]ethanamine (PubChem CID 107886659) has the molecular formula C12H13ClFN3 and a molecular weight of 253.71 g/mol. Its IUPAC name is 2-[1-[(4-chloro-3-fluorophenyl)methyl]imidazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[(4-chloro-3-fluorophenyl)methyl]imidazol-2-yl]ethanamine
PubChem CID107886659
Molecular FormulaC12H13ClFN3
Molecular Weight253.71 g/mol
Exact Mass253.08
IUPAC Name2-[1-[(4-chloro-3-fluorophenyl)methyl]imidazol-2-yl]ethanamine
SMILESNCCc1nccn1Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C12H13ClFN3/c13-10-2-1-9(7-11(10)14)8-17-6-5-16-12(17)3-4-15/h1-2,5-7H,3-4,8,15H2
InChIKeySYQBCPIFMVCDKS-UHFFFAOYSA-N
XLogP2.23
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.71
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(3-chloro-4-fluorophenyl)methyl]imidazol-2-yl]methanol
CID 103038769
[4-[[2-[(3,4-difluorophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine
CID 82558352
2-[1-[(2,3-difluorophenyl)methyl]imidazol-2-yl]ethanamine
CID 62408867
1-[1-[(3,4-dichlorophenyl)methyl]imidazol-2-yl]-N-methylmethanamine
CID 42656322
[4-[(2-ethylimidazol-1-yl)methyl]-3-fluorophenyl]methanamine
CID 61402521
2-[(4-bromophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]imidazole
CID 82561862
2-[1-(2-fluoroethyl)imidazol-2-yl]ethanamine
CID 80694657
N-[[1-[(3-chloro-4-fluorophenyl)methyl]imidazol-2-yl]methyl]propan-1-amine
CID 103038794
4-[[2-[(4-fluorophenyl)methyl]imidazol-1-yl]methyl]aniline
CID 82557919
[1-[(3-fluorophenyl)methyl]imidazol-2-yl]methanamine
CID 62223886
2-(chloromethyl)-1-[(4-chlorophenyl)methyl]imidazole;hydrochloride
CID 2779195
N-[2-(1-benzylimidazol-2-yl)ethyl]-2-chloro-4,5-difluorobenzamide
CID 134039701

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-chloro-3-fluorophenyl)methyl]imidazol-2-yl]ethanamine?
The IUPAC name of 2-[1-[(4-chloro-3-fluorophenyl)methyl]imidazol-2-yl]ethanamine (CID 107886659) is 2-[1-[(4-chloro-3-fluorophenyl)methyl]imidazol-2-yl]ethanamine.
What is the SMILES notation for 2-[1-[(4-chloro-3-fluorophenyl)methyl]imidazol-2-yl]ethanamine?
The canonical SMILES for 2-[1-[(4-chloro-3-fluorophenyl)methyl]imidazol-2-yl]ethanamine is NCCc1nccn1Cc1ccc(Cl)c(F)c1.
What is the InChIKey of 2-[1-[(4-chloro-3-fluorophenyl)methyl]imidazol-2-yl]ethanamine?
The InChIKey is SYQBCPIFMVCDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFN3/c13-10-2-1-9(7-11(10)14)8-17-6-5-16-12(17)3-4-15/h1-2,5-7H,3-4,8,15H2.
What are the key properties of 2-[1-[(4-chloro-3-fluorophenyl)methyl]imidazol-2-yl]ethanamine?
2-[1-[(4-chloro-3-fluorophenyl)methyl]imidazol-2-yl]ethanamine has a molecular weight of 253.71 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-chloro-3-fluorophenyl)methyl]imidazol-2-yl]ethanamine is sourced from PubChem (CID 107886659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).