[1-(3-chloro-4-methylphenyl)imidazol-4-yl]methanamine

C11H12ClN3 — CID 82472948

IUPAC[1-(3-chloro-4-methylphenyl)imidazol-4-yl]methanamine
SMILESCc1ccc(-n2cnc(CN)c2)cc1Cl
InChIInChI=1S/C11H12ClN3/c1-8-2-3-10(4-11(8)12)15-6-9(5-13)14-7-15/h2-4,6-7H,5,13H2,1H3
InChIKeyHCQMJBBVVKFYEG-UHFFFAOYSA-N
MW221.69 g/mol
LogP2.29
Rot. Bonds2

About [1-(3-chloro-4-methylphenyl)imidazol-4-yl]methanamine

[1-(3-chloro-4-methylphenyl)imidazol-4-yl]methanamine (PubChem CID 82472948) has the molecular formula C11H12ClN3 and a molecular weight of 221.69 g/mol. Its IUPAC name is [1-(3-chloro-4-methylphenyl)imidazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(3-chloro-4-methylphenyl)imidazol-4-yl]methanamine
PubChem CID82472948
Molecular FormulaC11H12ClN3
Molecular Weight221.69 g/mol
Exact Mass221.07
IUPAC Name[1-(3-chloro-4-methylphenyl)imidazol-4-yl]methanamine
SMILESCc1ccc(-n2cnc(CN)c2)cc1Cl
InChIInChI=1S/C11H12ClN3/c1-8-2-3-10(4-11(8)12)15-6-9(5-13)14-7-15/h2-4,6-7H,5,13H2,1H3
InChIKeyHCQMJBBVVKFYEG-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-(3,4-dichlorophenyl)imidazol-4-yl]methanol
CID 23444980
4-butyl-1-(3,4-dichlorophenyl)imidazole
CID 91436989
[1-(4-bromophenyl)imidazol-4-yl]methanamine
CID 82481393
1-[[1-(3,4-dichlorophenyl)imidazol-4-yl]methyl]-2,5-dimethylimidazole
CID 141054833
[2-(3-chloro-4-methylphenyl)tetrazol-5-yl]methanamine
CID 82287272
2-[1-(3,4-dimethylphenyl)imidazol-4-yl]acetic acid
CID 82474315
2-[2-(3-chloro-4-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]ethanamine
CID 82481041
5-[4-(hydroxymethyl)imidazol-1-yl]-2-methylbenzonitrile
CID 175229447
[1-(4-fluoro-3-methylphenyl)imidazol-4-yl]methanol
CID 23445149
2-[1-(3-chloro-4-methylphenyl)pyrazol-3-yl]-N-methylethanamine
CID 116818139
4-(4-bromoimidazol-1-yl)-2-chloroaniline
CID 155581370
2-[1-(4-ethylphenyl)imidazol-4-yl]ethanamine
CID 82471356

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-4-methylphenyl)imidazol-4-yl]methanamine?
The IUPAC name of [1-(3-chloro-4-methylphenyl)imidazol-4-yl]methanamine (CID 82472948) is [1-(3-chloro-4-methylphenyl)imidazol-4-yl]methanamine.
What is the SMILES notation for [1-(3-chloro-4-methylphenyl)imidazol-4-yl]methanamine?
The canonical SMILES for [1-(3-chloro-4-methylphenyl)imidazol-4-yl]methanamine is Cc1ccc(-n2cnc(CN)c2)cc1Cl.
What is the InChIKey of [1-(3-chloro-4-methylphenyl)imidazol-4-yl]methanamine?
The InChIKey is HCQMJBBVVKFYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3/c1-8-2-3-10(4-11(8)12)15-6-9(5-13)14-7-15/h2-4,6-7H,5,13H2,1H3.
What are the key properties of [1-(3-chloro-4-methylphenyl)imidazol-4-yl]methanamine?
[1-(3-chloro-4-methylphenyl)imidazol-4-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-4-methylphenyl)imidazol-4-yl]methanamine is sourced from PubChem (CID 82472948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).