1-[1-(4-chlorophenyl)imidazol-2-yl]-N-methylmethanamine

C11H12ClN3 — CID 83890401

IUPAC1-[1-(4-chlorophenyl)imidazol-2-yl]-N-methylmethanamine
SMILESCNCc1nccn1-c1ccc(Cl)cc1
InChIInChI=1S/C11H12ClN3/c1-13-8-11-14-6-7-15(11)10-4-2-9(12)3-5-10/h2-7,13H,8H2,1H3
InChIKeyXZFNVHRMUDTQAW-UHFFFAOYSA-N
MW221.69 g/mol
LogP2.25
Rot. Bonds3

About 1-[1-(4-chlorophenyl)imidazol-2-yl]-N-methylmethanamine

1-[1-(4-chlorophenyl)imidazol-2-yl]-N-methylmethanamine (PubChem CID 83890401) has the molecular formula C11H12ClN3 and a molecular weight of 221.69 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)imidazol-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)imidazol-2-yl]-N-methylmethanamine
PubChem CID83890401
Molecular FormulaC11H12ClN3
Molecular Weight221.69 g/mol
Exact Mass221.07
IUPAC Name1-[1-(4-chlorophenyl)imidazol-2-yl]-N-methylmethanamine
SMILESCNCc1nccn1-c1ccc(Cl)cc1
InChIInChI=1S/C11H12ClN3/c1-13-8-11-14-6-7-15(11)10-4-2-9(12)3-5-10/h2-7,13H,8H2,1H3
InChIKeyXZFNVHRMUDTQAW-UHFFFAOYSA-N
XLogP2.25
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(4-chlorophenyl)imidazol-2-yl]methanamine
CID 67564899
1-[1-(3-fluoro-4-methylphenyl)imidazol-2-yl]-N-methylmethanamine;formic acid
CID 143223396
1-(4-chlorophenyl)imidazol-2-amine
CID 106558475
1-[3-chloro-4-(2-ethylimidazol-1-yl)phenyl]-N-methylmethanamine
CID 81150062
1-[1-(4-chlorophenyl)tetrazol-5-yl]-N-methylmethanamine
CID 62736070
1-(3-chloropropyl)-3-[2-fluoro-4-[2-(methylaminomethyl)imidazol-1-yl]phenyl]urea
CID 70333949
1-(4-chlorophenyl)-2-methylsulfonylimidazole
CID 82132275
4-(4-chlorophenyl)-3-(methylaminomethyl)-1H-1,2,4-triazol-5-one
CID 50977605
[1-(3-chloro-4-fluorophenyl)imidazol-2-yl]methanamine
CID 82287676
4-chloro-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 43087975
2-[(4-chlorophenyl)methyl]-1-methylimidazole
CID 143713939
1-[1-[(3,4-dichlorophenyl)methyl]imidazol-2-yl]-N-methylmethanamine
CID 42656322

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)imidazol-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(4-chlorophenyl)imidazol-2-yl]-N-methylmethanamine (CID 83890401) is 1-[1-(4-chlorophenyl)imidazol-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(4-chlorophenyl)imidazol-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(4-chlorophenyl)imidazol-2-yl]-N-methylmethanamine is CNCc1nccn1-c1ccc(Cl)cc1.
What is the InChIKey of 1-[1-(4-chlorophenyl)imidazol-2-yl]-N-methylmethanamine?
The InChIKey is XZFNVHRMUDTQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3/c1-13-8-11-14-6-7-15(11)10-4-2-9(12)3-5-10/h2-7,13H,8H2,1H3.
What are the key properties of 1-[1-(4-chlorophenyl)imidazol-2-yl]-N-methylmethanamine?
1-[1-(4-chlorophenyl)imidazol-2-yl]-N-methylmethanamine has a molecular weight of 221.69 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)imidazol-2-yl]-N-methylmethanamine is sourced from PubChem (CID 83890401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).