1-(3-chloro-4-methylphenyl)-4-methyl-N-prop-2-enylimidazol-2-amine

C14H16ClN3 — CID 106555476

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

About 1-(3-chloro-4-methylphenyl)-4-methyl-N-prop-2-enylimidazol-2-amine

1-(3-chloro-4-methylphenyl)-4-methyl-N-prop-2-enylimidazol-2-amine (PubChem CID 106555476) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-4-methyl-N-prop-2-enylimidazol-2-amine.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-4-methyl-N-prop-2-enylimidazol-2-amine
PubChem CID106555476
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC Name1-(3-chloro-4-methylphenyl)-4-methyl-N-prop-2-enylimidazol-2-amine
SMILESC=CCNc1nc(C)cn1-c1ccc(C)c(Cl)c1
InChIInChI=1S/C14H16ClN3/c1-4-7-16-14-17-11(3)9-18(14)12-6-5-10(2)13(15)8-12/h4-6,8-9H,1,7H2,2-3H3,(H,16,17)
InChIKeyPOMDTTHGCJPBEG-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-propylimidazol-2-amine
CID 106555469
1-(4-methoxy-3-methylphenyl)-4-methyl-N-prop-2-enylimidazol-2-amine
CID 106564103
1-(3-chloro-4-methylphenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106555475
1-(4-bromo-3,5-dimethylphenyl)-4-methyl-N-prop-2-enylimidazol-2-amine
CID 107581499
1-(2-chloro-4-methylphenyl)-4-methyl-N-prop-2-enylimidazol-2-amine
CID 106560885
1-(3-chloro-4-methylphenyl)-4-methyl-N-propan-2-ylimidazol-2-amine
CID 106555482
1-(3-bromo-5-methoxyphenyl)-4-methyl-N-prop-2-enylimidazol-2-amine
CID 106579335
1-(4-bromo-3-chlorophenyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 107618219
N-ethyl-4-methyl-1-[4-methyl-3-(trifluoromethyl)phenyl]imidazol-2-amine
CID 106568290
1-(4-chloro-3-fluorophenyl)-4-methyl-N-(2-methylpropyl)imidazol-2-amine
CID 106567700
1-(4-chloro-3-methoxyphenyl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 107623862
1-(4-chloro-3-fluorophenyl)-N,4-dimethylimidazol-2-amine
CID 106567668

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-4-methyl-N-prop-2-enylimidazol-2-amine?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-4-methyl-N-prop-2-enylimidazol-2-amine (CID 106555476) is 1-(3-chloro-4-methylphenyl)-4-methyl-N-prop-2-enylimidazol-2-amine.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-4-methyl-N-prop-2-enylimidazol-2-amine?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-4-methyl-N-prop-2-enylimidazol-2-amine is C=CCNc1nc(C)cn1-c1ccc(C)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-4-methyl-N-prop-2-enylimidazol-2-amine?
The InChIKey is POMDTTHGCJPBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3/c1-4-7-16-14-17-11(3)9-18(14)12-6-5-10(2)13(15)8-12/h4-6,8-9H,1,7H2,2-3H3,(H,16,17).
What are the key properties of 1-(3-chloro-4-methylphenyl)-4-methyl-N-prop-2-enylimidazol-2-amine?
1-(3-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-(3-chloro-4-methylphenyl)-4-methyl-N-prop-2-enylimidazol-2-amine is sourced from PubChem (CID 106555476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).