N-[(3-chloro-4-fluorophenyl)methyl]-1-ethylimidazol-2-amine

C12H13ClFN3 — CID 62539605

IUPACN-[(3-chloro-4-fluorophenyl)methyl]-1-ethylimidazol-2-amine
SMILESCCn1ccnc1NCc1ccc(F)c(Cl)c1
InChIInChI=1S/C12H13ClFN3/c1-2-17-6-5-15-12(17)16-8-9-3-4-11(14)10(13)7-9/h3-7H,2,8H2,1H3,(H,15,16)
InChIKeyUNHAIFBIMQFBRS-UHFFFAOYSA-N
MW253.71 g/mol
LogP3.31
Rot. Bonds4

About N-[(3-chloro-4-fluorophenyl)methyl]-1-ethylimidazol-2-amine

N-[(3-chloro-4-fluorophenyl)methyl]-1-ethylimidazol-2-amine (PubChem CID 62539605) has the molecular formula C12H13ClFN3 and a molecular weight of 253.71 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)methyl]-1-ethylimidazol-2-amine.

Molecular Properties

Compound NameN-[(3-chloro-4-fluorophenyl)methyl]-1-ethylimidazol-2-amine
PubChem CID62539605
Molecular FormulaC12H13ClFN3
Molecular Weight253.71 g/mol
Exact Mass253.08
IUPAC NameN-[(3-chloro-4-fluorophenyl)methyl]-1-ethylimidazol-2-amine
SMILESCCn1ccnc1NCc1ccc(F)c(Cl)c1
InChIInChI=1S/C12H13ClFN3/c1-2-17-6-5-15-12(17)16-8-9-3-4-11(14)10(13)7-9/h3-7H,2,8H2,1H3,(H,15,16)
InChIKeyUNHAIFBIMQFBRS-UHFFFAOYSA-N
XLogP3.31
TPSA29.85 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 ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3-chloro-4-fluorophenyl)methyl]-1-ethylimidazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-chloro-4-fluorophenyl)methyl]-1-(1-methoxypropan-2-yl)imidazol-2-amine
CID 106570194
N-[(3-chloro-4-fluorophenyl)methyl]-1-cyclohexylimidazol-2-amine
CID 106570228
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-ethylimidazol-2-amine
CID 105358195
N-[(2-chlorophenyl)methyl]-1-ethylimidazol-2-amine
CID 62136767
N-[(3-chloro-4-fluorophenyl)methyl]-2-(2-methylimidazol-1-yl)ethanamine
CID 62538462
N-[(3-chlorophenyl)methyl]-1-propylimidazol-2-amine
CID 106570097
N-[[1-[(3-chloro-4-fluorophenyl)methyl]imidazol-2-yl]methyl]propan-1-amine
CID 103038794
1-ethyl-N-[(1-methylpyrazol-4-yl)methyl]imidazol-2-amine
CID 62136959
N-(3-chloro-4-fluorophenyl)-1-propylimidazol-2-amine
CID 106554348
3-bromo-N-[(3-chloro-4-fluorophenyl)methyl]-4-methylpyridin-2-amine
CID 106875693
N-[(3-chloro-4-fluorophenyl)methyl]pyridin-2-amine
CID 62537645
N-[(4-chlorophenyl)methyl]-1-methylimidazol-2-amine;trihydrochloride
CID 76853743

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-1-ethylimidazol-2-amine?
The IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-1-ethylimidazol-2-amine (CID 62539605) is N-[(3-chloro-4-fluorophenyl)methyl]-1-ethylimidazol-2-amine.
What is the SMILES notation for N-[(3-chloro-4-fluorophenyl)methyl]-1-ethylimidazol-2-amine?
The canonical SMILES for N-[(3-chloro-4-fluorophenyl)methyl]-1-ethylimidazol-2-amine is CCn1ccnc1NCc1ccc(F)c(Cl)c1.
What is the InChIKey of N-[(3-chloro-4-fluorophenyl)methyl]-1-ethylimidazol-2-amine?
The InChIKey is UNHAIFBIMQFBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFN3/c1-2-17-6-5-15-12(17)16-8-9-3-4-11(14)10(13)7-9/h3-7H,2,8H2,1H3,(H,15,16).
What are the key properties of N-[(3-chloro-4-fluorophenyl)methyl]-1-ethylimidazol-2-amine?
N-[(3-chloro-4-fluorophenyl)methyl]-1-ethylimidazol-2-amine has a molecular weight of 253.71 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-fluorophenyl)methyl]-1-ethylimidazol-2-amine is sourced from PubChem (CID 62539605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).