[1-(3-chloro-2-methylphenyl)imidazol-2-yl]methanamine

C11H12ClN3 — CID 82286820

IUPAC[1-(3-chloro-2-methylphenyl)imidazol-2-yl]methanamine
SMILESCc1c(Cl)cccc1-n1ccnc1CN
InChIInChI=1S/C11H12ClN3/c1-8-9(12)3-2-4-10(8)15-6-5-14-11(15)7-13/h2-6H,7,13H2,1H3
InChIKeyAGQSAHAALINUHA-UHFFFAOYSA-N
MW221.69 g/mol
LogP2.29
Rot. Bonds2

About [1-(3-chloro-2-methylphenyl)imidazol-2-yl]methanamine

[1-(3-chloro-2-methylphenyl)imidazol-2-yl]methanamine (PubChem CID 82286820) has the molecular formula C11H12ClN3 and a molecular weight of 221.69 g/mol. Its IUPAC name is [1-(3-chloro-2-methylphenyl)imidazol-2-yl]methanamine.

Molecular Properties

Compound Name[1-(3-chloro-2-methylphenyl)imidazol-2-yl]methanamine
PubChem CID82286820
Molecular FormulaC11H12ClN3
Molecular Weight221.69 g/mol
Exact Mass221.07
IUPAC Name[1-(3-chloro-2-methylphenyl)imidazol-2-yl]methanamine
SMILESCc1c(Cl)cccc1-n1ccnc1CN
InChIInChI=1S/C11H12ClN3/c1-8-9(12)3-2-4-10(8)15-6-5-14-11(15)7-13/h2-6H,7,13H2,1H3
InChIKeyAGQSAHAALINUHA-UHFFFAOYSA-N
XLogP2.29
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-chloro-2-methylphenyl)-1,2,4-triazol-3-yl]methanamine
CID 83822954
[3-(3-chloro-2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methanamine
CID 96668761
[1-(4-chlorophenyl)imidazol-2-yl]methanamine
CID 67564899
1-(3-chloro-2-methylphenyl)-N-cyclohexylimidazol-2-amine
CID 106556315
3-(benzylamino)-1-(3-chloro-2-methylphenyl)pyrazin-2-one
CID 18591887
(1-phenylimidazol-2-yl)methanamine;hydrochloride
CID 162422854
4-(3-chloro-2-methylphenyl)-1,2,4-triazol-3-amine
CID 134086884
2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanyl-N',N'-dimethylacetohydrazide
CID 9180118
2-[1-(2-chlorophenyl)imidazol-2-yl]acetic acid
CID 83897346
[1-(3-chloro-2-methylphenyl)-5-methylpyrazol-3-yl]methanamine
CID 82083524
1-[3-chloro-2-(chloromethyl)phenyl]-2-methylimidazole
CID 28946545
[1-(3-chloro-4-fluorophenyl)imidazol-2-yl]methanamine
CID 82287676

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-2-methylphenyl)imidazol-2-yl]methanamine?
The IUPAC name of [1-(3-chloro-2-methylphenyl)imidazol-2-yl]methanamine (CID 82286820) is [1-(3-chloro-2-methylphenyl)imidazol-2-yl]methanamine.
What is the SMILES notation for [1-(3-chloro-2-methylphenyl)imidazol-2-yl]methanamine?
The canonical SMILES for [1-(3-chloro-2-methylphenyl)imidazol-2-yl]methanamine is Cc1c(Cl)cccc1-n1ccnc1CN.
What is the InChIKey of [1-(3-chloro-2-methylphenyl)imidazol-2-yl]methanamine?
The InChIKey is AGQSAHAALINUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3/c1-8-9(12)3-2-4-10(8)15-6-5-14-11(15)7-13/h2-6H,7,13H2,1H3.
What are the key properties of [1-(3-chloro-2-methylphenyl)imidazol-2-yl]methanamine?
[1-(3-chloro-2-methylphenyl)imidazol-2-yl]methanamine has a molecular weight of 221.69 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-2-methylphenyl)imidazol-2-yl]methanamine is sourced from PubChem (CID 82286820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).