1-(3-chloro-4-fluorophenyl)-N-[(5-chloro-1-methylimidazol-2-yl)methyl]methanamine

C12H12Cl2FN3 — CID 62537628

IUPAC1-(3-chloro-4-fluorophenyl)-N-[(5-chloro-1-methylimidazol-2-yl)methyl]methanamine
SMILESCn1c(Cl)cnc1CNCc1ccc(F)c(Cl)c1
InChIInChI=1S/C12H12Cl2FN3/c1-18-11(14)6-17-12(18)7-16-5-8-2-3-10(15)9(13)4-8/h2-4,6,16H,5,7H2,1H3
InChIKeyYLZPOJIOBPRCER-UHFFFAOYSA-N
MW288.15 g/mol
LogP3.16
Rot. Bonds4

About 1-(3-chloro-4-fluorophenyl)-N-[(5-chloro-1-methylimidazol-2-yl)methyl]methanamine

1-(3-chloro-4-fluorophenyl)-N-[(5-chloro-1-methylimidazol-2-yl)methyl]methanamine (PubChem CID 62537628) has the molecular formula C12H12Cl2FN3 and a molecular weight of 288.15 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-N-[(5-chloro-1-methylimidazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-N-[(5-chloro-1-methylimidazol-2-yl)methyl]methanamine
PubChem CID62537628
Molecular FormulaC12H12Cl2FN3
Molecular Weight288.15 g/mol
Exact Mass287.04
IUPAC Name1-(3-chloro-4-fluorophenyl)-N-[(5-chloro-1-methylimidazol-2-yl)methyl]methanamine
SMILESCn1c(Cl)cnc1CNCc1ccc(F)c(Cl)c1
InChIInChI=1S/C12H12Cl2FN3/c1-18-11(14)6-17-12(18)7-16-5-8-2-3-10(15)9(13)4-8/h2-4,6,16H,5,7H2,1H3
InChIKeyYLZPOJIOBPRCER-UHFFFAOYSA-N
XLogP3.16
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.15
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 60702101
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-(4-chlorophenyl)ethanamine
CID 60687993
1-(3-chloro-4-fluorophenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine
CID 79578574
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(furan-3-yl)methanamine
CID 115607872
N-[(3-chloro-4-fluorophenyl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine
CID 62538091
1-(3-chloro-4-fluorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]methanamine
CID 81144859
N-[(3-chloro-4-fluorophenyl)methyl]ethanamine
CID 62538918
N-[(3-chloro-4-fluorophenyl)methyl]-1-(3-fluoro-4-methylphenyl)methanamine
CID 55244423
N-[(3-chloro-4-fluorophenyl)methyl]-2-(1-methylimidazol-2-yl)ethanamine
CID 81146312
N-[(3-chloro-4-fluorophenyl)methyl]-1-(3-ethoxyphenyl)methanamine
CID 60615873
1-(3-chloro-4-fluorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]methanamine
CID 81145864
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-(3-fluorophenyl)ethanamine
CID 43401980

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-N-[(5-chloro-1-methylimidazol-2-yl)methyl]methanamine?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-N-[(5-chloro-1-methylimidazol-2-yl)methyl]methanamine (CID 62537628) is 1-(3-chloro-4-fluorophenyl)-N-[(5-chloro-1-methylimidazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-N-[(5-chloro-1-methylimidazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-N-[(5-chloro-1-methylimidazol-2-yl)methyl]methanamine is Cn1c(Cl)cnc1CNCc1ccc(F)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-N-[(5-chloro-1-methylimidazol-2-yl)methyl]methanamine?
The InChIKey is YLZPOJIOBPRCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2FN3/c1-18-11(14)6-17-12(18)7-16-5-8-2-3-10(15)9(13)4-8/h2-4,6,16H,5,7H2,1H3.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-N-[(5-chloro-1-methylimidazol-2-yl)methyl]methanamine?
1-(3-chloro-4-fluorophenyl)-N-[(5-chloro-1-methylimidazol-2-yl)methyl]methanamine has a molecular weight of 288.15 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-N-[(5-chloro-1-methylimidazol-2-yl)methyl]methanamine is sourced from PubChem (CID 62537628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).