[3-[(5-chloro-2-fluorophenyl)methyl]-2-methylimidazol-4-yl]methanamine

C12H13ClFN3 — CID 103050362

IUPAC[3-[(5-chloro-2-fluorophenyl)methyl]-2-methylimidazol-4-yl]methanamine
SMILESCc1ncc(CN)n1Cc1cc(Cl)ccc1F
InChIInChI=1S/C12H13ClFN3/c1-8-16-6-11(5-15)17(8)7-9-4-10(13)2-3-12(9)14/h2-4,6H,5,7,15H2,1H3
InChIKeyJMERADOITKDYHU-UHFFFAOYSA-N
MW253.71 g/mol
LogP2.49
Rot. Bonds3

About [3-[(5-chloro-2-fluorophenyl)methyl]-2-methylimidazol-4-yl]methanamine

[3-[(5-chloro-2-fluorophenyl)methyl]-2-methylimidazol-4-yl]methanamine (PubChem CID 103050362) has the molecular formula C12H13ClFN3 and a molecular weight of 253.71 g/mol. Its IUPAC name is [3-[(5-chloro-2-fluorophenyl)methyl]-2-methylimidazol-4-yl]methanamine.

Molecular Properties

Compound Name[3-[(5-chloro-2-fluorophenyl)methyl]-2-methylimidazol-4-yl]methanamine
PubChem CID103050362
Molecular FormulaC12H13ClFN3
Molecular Weight253.71 g/mol
Exact Mass253.08
IUPAC Name[3-[(5-chloro-2-fluorophenyl)methyl]-2-methylimidazol-4-yl]methanamine
SMILESCc1ncc(CN)n1Cc1cc(Cl)ccc1F
InChIInChI=1S/C12H13ClFN3/c1-8-16-6-11(5-15)17(8)7-9-4-10(13)2-3-12(9)14/h2-4,6H,5,7,15H2,1H3
InChIKeyJMERADOITKDYHU-UHFFFAOYSA-N
XLogP2.49
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.71
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-[(5-chloro-2-fluorophenyl)methyl]-2-methylimidazol-4-yl]methanamine 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-[(5-chloro-2-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]cyclopropanamine
CID 103050367
[3-[(4-chloro-3-fluorophenyl)methyl]-2-methylimidazol-4-yl]methanamine
CID 114013003
[3-[(2-chloro-4-methylphenyl)methyl]-2-methylimidazol-4-yl]methanamine
CID 106870107
N-[[3-[(4-chloro-2-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 114859912
1-[3-[(2,5-dichlorophenyl)methyl]-2-methylimidazol-4-yl]-N-methylmethanamine
CID 65316101
N-[[3-[(5-bromo-2-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 65172284
N-[[3-[(2-chloro-3-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 115984376
[3-[(5-bromo-3-pyridinyl)methyl]-2-methylimidazol-4-yl]methanamine
CID 104811795
N-[[1-[(5-chloro-2-fluorophenyl)methyl]-5-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 103050327
1-[(5-chloro-2-fluorophenyl)methyl]-2-methylimidazole-4-sulfonamide
CID 103051987
3-[(5-bromo-2-fluorophenyl)methyl]-5-iodo-2-methylpyrimidin-4-one
CID 66340919
(2-methyl-3-prop-2-ynylimidazol-4-yl)methanamine
CID 65173073

Frequently Asked Questions

What is the IUPAC name of [3-[(5-chloro-2-fluorophenyl)methyl]-2-methylimidazol-4-yl]methanamine?
The IUPAC name of [3-[(5-chloro-2-fluorophenyl)methyl]-2-methylimidazol-4-yl]methanamine (CID 103050362) is [3-[(5-chloro-2-fluorophenyl)methyl]-2-methylimidazol-4-yl]methanamine.
What is the SMILES notation for [3-[(5-chloro-2-fluorophenyl)methyl]-2-methylimidazol-4-yl]methanamine?
The canonical SMILES for [3-[(5-chloro-2-fluorophenyl)methyl]-2-methylimidazol-4-yl]methanamine is Cc1ncc(CN)n1Cc1cc(Cl)ccc1F.
What is the InChIKey of [3-[(5-chloro-2-fluorophenyl)methyl]-2-methylimidazol-4-yl]methanamine?
The InChIKey is JMERADOITKDYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFN3/c1-8-16-6-11(5-15)17(8)7-9-4-10(13)2-3-12(9)14/h2-4,6H,5,7,15H2,1H3.
What are the key properties of [3-[(5-chloro-2-fluorophenyl)methyl]-2-methylimidazol-4-yl]methanamine?
[3-[(5-chloro-2-fluorophenyl)methyl]-2-methylimidazol-4-yl]methanamine has a molecular weight of 253.71 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(5-chloro-2-fluorophenyl)methyl]-2-methylimidazol-4-yl]methanamine is sourced from PubChem (CID 103050362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).