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

C14H16ClN3O — CID 107623858

IUPACN-(4-chloro-3-methoxyphenyl)-4-methyl-1-prop-2-enylimidazol-2-amine
SMILESC=CCn1cc(C)nc1Nc1ccc(Cl)c(OC)c1
InChIInChI=1S/C14H16ClN3O/c1-4-7-18-9-10(2)16-14(18)17-11-5-6-12(15)13(8-11)19-3/h4-6,8-9H,1,7H2,2-3H3,(H,16,17)
InChIKeyHYMBFHLSSZXSGP-UHFFFAOYSA-N
MW277.76 g/mol
LogP3.78
Rot. Bonds5

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

N-(4-chloro-3-methoxyphenyl)-4-methyl-1-prop-2-enylimidazol-2-amine (PubChem CID 107623858) has the molecular formula C14H16ClN3O and a molecular weight of 277.76 g/mol. Its IUPAC name is N-(4-chloro-3-methoxyphenyl)-4-methyl-1-prop-2-enylimidazol-2-amine.

Molecular Properties

Compound NameN-(4-chloro-3-methoxyphenyl)-4-methyl-1-prop-2-enylimidazol-2-amine
PubChem CID107623858
Molecular FormulaC14H16ClN3O
Molecular Weight277.76 g/mol
Exact Mass277.10
IUPAC NameN-(4-chloro-3-methoxyphenyl)-4-methyl-1-prop-2-enylimidazol-2-amine
SMILESC=CCn1cc(C)nc1Nc1ccc(Cl)c(OC)c1
InChIInChI=1S/C14H16ClN3O/c1-4-7-18-9-10(2)16-14(18)17-11-5-6-12(15)13(8-11)19-3/h4-6,8-9H,1,7H2,2-3H3,(H,16,17)
InChIKeyHYMBFHLSSZXSGP-UHFFFAOYSA-N
XLogP3.78
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.76
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-methoxyphenyl)-4-methyl-1-prop-2-enylimidazol-2-amine?
The IUPAC name of N-(4-chloro-3-methoxyphenyl)-4-methyl-1-prop-2-enylimidazol-2-amine (CID 107623858) is N-(4-chloro-3-methoxyphenyl)-4-methyl-1-prop-2-enylimidazol-2-amine.
What is the SMILES notation for N-(4-chloro-3-methoxyphenyl)-4-methyl-1-prop-2-enylimidazol-2-amine?
The canonical SMILES for N-(4-chloro-3-methoxyphenyl)-4-methyl-1-prop-2-enylimidazol-2-amine is C=CCn1cc(C)nc1Nc1ccc(Cl)c(OC)c1.
What is the InChIKey of N-(4-chloro-3-methoxyphenyl)-4-methyl-1-prop-2-enylimidazol-2-amine?
The InChIKey is HYMBFHLSSZXSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-4-7-18-9-10(2)16-14(18)17-11-5-6-12(15)13(8-11)19-3/h4-6,8-9H,1,7H2,2-3H3,(H,16,17).
What are the key properties of N-(4-chloro-3-methoxyphenyl)-4-methyl-1-prop-2-enylimidazol-2-amine?
N-(4-chloro-3-methoxyphenyl)-4-methyl-1-prop-2-enylimidazol-2-amine has a molecular weight of 277.76 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-methoxyphenyl)-4-methyl-1-prop-2-enylimidazol-2-amine is sourced from PubChem (CID 107623858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).