5-(3-cyclopropylphenyl)-2-propyl-3-prop-2-ynylimidazol-4-amine

C18H21N3 — CID 79971882

IUPAC5-(3-cyclopropylphenyl)-2-propyl-3-prop-2-ynylimidazol-4-amine
SMILESC#CCn1c(CCC)nc(-c2cccc(C3CC3)c2)c1N
InChIInChI=1S/C18H21N3/c1-3-6-16-20-17(18(19)21(16)11-4-2)15-8-5-7-14(12-15)13-9-10-13/h2,5,7-8,12-13H,3,6,9-11,19H2,1H3
InChIKeyAOYHERTXXJWXOM-UHFFFAOYSA-N
MW279.39 g/mol
LogP3.60
Rot. Bonds5

About 5-(3-cyclopropylphenyl)-2-propyl-3-prop-2-ynylimidazol-4-amine

5-(3-cyclopropylphenyl)-2-propyl-3-prop-2-ynylimidazol-4-amine (PubChem CID 79971882) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is 5-(3-cyclopropylphenyl)-2-propyl-3-prop-2-ynylimidazol-4-amine.

Molecular Properties

Compound Name5-(3-cyclopropylphenyl)-2-propyl-3-prop-2-ynylimidazol-4-amine
PubChem CID79971882
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC Name5-(3-cyclopropylphenyl)-2-propyl-3-prop-2-ynylimidazol-4-amine
SMILESC#CCn1c(CCC)nc(-c2cccc(C3CC3)c2)c1N
InChIInChI=1S/C18H21N3/c1-3-6-16-20-17(18(19)21(16)11-4-2)15-8-5-7-14(12-15)13-9-10-13/h2,5,7-8,12-13H,3,6,9-11,19H2,1H3
InChIKeyAOYHERTXXJWXOM-UHFFFAOYSA-N
XLogP3.60
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-[(1-methyl-4,5-diphenylimidazol-2-yl)methyl]aniline
CID 72164281
1-pentyl-5-phenyl-1H-imidazol-2-amine
CID 6917245
1H-Imidazole, 2,4,5-triphenyl-1-(phenylmethyl)-
CID 3615012
3-methyl-1-[6-(2-methyl-4,5-diphenyl-1H-imidazol-1-yl)hexyl]urea
CID 25190476
1-Methyl-3-(2-methylprop-2-enyl)-4,5-diphenylimidazol-1-ium
CID 2345786
1-Heptyl-5-phenylimidazol-2-amine
CID 50941016
1-Octyl-5-phenylimidazol-2-amine
CID 50941017
1-Nonyl-5-phenylimidazol-2-amine
CID 50941018
1-Decyl-5-phenylimidazol-2-amine
CID 50941019
5-Phenyl-1-undecylimidazol-2-amine
CID 50941020
1-Dodecyl-5-phenylimidazol-2-amine
CID 50941021
5-Phenyl-1-tridecylimidazol-2-amine
CID 50941022

Frequently Asked Questions

What is the IUPAC name of 5-(3-cyclopropylphenyl)-2-propyl-3-prop-2-ynylimidazol-4-amine?
The IUPAC name of 5-(3-cyclopropylphenyl)-2-propyl-3-prop-2-ynylimidazol-4-amine (CID 79971882) is 5-(3-cyclopropylphenyl)-2-propyl-3-prop-2-ynylimidazol-4-amine.
What is the SMILES notation for 5-(3-cyclopropylphenyl)-2-propyl-3-prop-2-ynylimidazol-4-amine?
The canonical SMILES for 5-(3-cyclopropylphenyl)-2-propyl-3-prop-2-ynylimidazol-4-amine is C#CCn1c(CCC)nc(-c2cccc(C3CC3)c2)c1N.
What is the InChIKey of 5-(3-cyclopropylphenyl)-2-propyl-3-prop-2-ynylimidazol-4-amine?
The InChIKey is AOYHERTXXJWXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-3-6-16-20-17(18(19)21(16)11-4-2)15-8-5-7-14(12-15)13-9-10-13/h2,5,7-8,12-13H,3,6,9-11,19H2,1H3.
What are the key properties of 5-(3-cyclopropylphenyl)-2-propyl-3-prop-2-ynylimidazol-4-amine?
5-(3-cyclopropylphenyl)-2-propyl-3-prop-2-ynylimidazol-4-amine has a molecular weight of 279.39 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyclopropylphenyl)-2-propyl-3-prop-2-ynylimidazol-4-amine is sourced from PubChem (CID 79971882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).