1-(2-chloro-4-methylphenyl)-4-methyl-N-prop-2-enylimidazol-2-amine

C14H16ClN3 — CID 106560885

IUPAC1-(2-chloro-4-methylphenyl)-4-methyl-N-prop-2-enylimidazol-2-amine
SMILESC=CCNc1nc(C)cn1-c1ccc(C)cc1Cl
InChIInChI=1S/C14H16ClN3/c1-4-7-16-14-17-11(3)9-18(14)13-6-5-10(2)8-12(13)15/h4-6,8-9H,1,7H2,2-3H3,(H,16,17)
InChIKeySLHOSOFQXYCPQQ-UHFFFAOYSA-N
MW261.76 g/mol
LogP3.74
Rot. Bonds4

About 1-(2-chloro-4-methylphenyl)-4-methyl-N-prop-2-enylimidazol-2-amine

1-(2-chloro-4-methylphenyl)-4-methyl-N-prop-2-enylimidazol-2-amine (PubChem CID 106560885) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-4-methyl-N-prop-2-enylimidazol-2-amine.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-4-methyl-N-prop-2-enylimidazol-2-amine
PubChem CID106560885
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC Name1-(2-chloro-4-methylphenyl)-4-methyl-N-prop-2-enylimidazol-2-amine
SMILESC=CCNc1nc(C)cn1-c1ccc(C)cc1Cl
InChIInChI=1S/C14H16ClN3/c1-4-7-16-14-17-11(3)9-18(14)13-6-5-10(2)8-12(13)15/h4-6,8-9H,1,7H2,2-3H3,(H,16,17)
InChIKeySLHOSOFQXYCPQQ-UHFFFAOYSA-N
XLogP3.74
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.76
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(3-chloro-4-methylphenyl)-4-methyl-N-prop-2-enylimidazol-2-amine
CID 106555476
1-(2-chloro-4-methylphenyl)-4-methyl-N-phenylimidazol-2-amine
CID 106560864
1-(2-chloro-4-methylphenyl)-N-cyclopentyl-4-methylimidazol-2-amine
CID 106560891
1-(4-bromo-3,5-dimethylphenyl)-4-methyl-N-prop-2-enylimidazol-2-amine
CID 107581499
N-butyl-1-(2-chloro-5-methylphenyl)-4-methylimidazol-2-amine
CID 107628198
1-(3-bromo-5-methoxyphenyl)-4-methyl-N-prop-2-enylimidazol-2-amine
CID 106579335
1-(2-bromo-4-methylphenyl)-N-prop-2-enylimidazol-2-amine
CID 106555655
1-(4-methoxy-3-methylphenyl)-4-methyl-N-prop-2-enylimidazol-2-amine
CID 106564103
N-butyl-1-(2-chloro-4-fluorophenyl)-4-methylimidazol-2-amine
CID 106554117
1-(2-chloro-4-fluorophenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106554124
1-(2,5-dimethylphenyl)-4-methyl-N-propylimidazol-2-amine
CID 106558223
1-(2-chlorophenyl)-4-methyl-N-propylimidazol-2-amine
CID 106558751

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-4-methyl-N-prop-2-enylimidazol-2-amine?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-4-methyl-N-prop-2-enylimidazol-2-amine (CID 106560885) is 1-(2-chloro-4-methylphenyl)-4-methyl-N-prop-2-enylimidazol-2-amine.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-4-methyl-N-prop-2-enylimidazol-2-amine?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-4-methyl-N-prop-2-enylimidazol-2-amine is C=CCNc1nc(C)cn1-c1ccc(C)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-4-methyl-N-prop-2-enylimidazol-2-amine?
The InChIKey is SLHOSOFQXYCPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3/c1-4-7-16-14-17-11(3)9-18(14)13-6-5-10(2)8-12(13)15/h4-6,8-9H,1,7H2,2-3H3,(H,16,17).
What are the key properties of 1-(2-chloro-4-methylphenyl)-4-methyl-N-prop-2-enylimidazol-2-amine?
1-(2-chloro-4-methylphenyl)-4-methyl-N-prop-2-enylimidazol-2-amine has a molecular weight of 261.76 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylphenyl)-4-methyl-N-prop-2-enylimidazol-2-amine is sourced from PubChem (CID 106560885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).