5-(3-cyclopropylphenyl)-3-propan-2-yl-2-propylimidazol-4-amine

C18H25N3 — CID 79971147

IUPAC5-(3-cyclopropylphenyl)-3-propan-2-yl-2-propylimidazol-4-amine
SMILESCCCc1nc(-c2cccc(C3CC3)c2)c(N)n1C(C)C
InChIInChI=1S/C18H25N3/c1-4-6-16-20-17(18(19)21(16)12(2)3)15-8-5-7-14(11-15)13-9-10-13/h5,7-8,11-13H,4,6,9-10,19H2,1-3H3
InChIKeyKXQTYOGPMCMFGM-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.54
Rot. Bonds5

About 5-(3-cyclopropylphenyl)-3-propan-2-yl-2-propylimidazol-4-amine

5-(3-cyclopropylphenyl)-3-propan-2-yl-2-propylimidazol-4-amine (PubChem CID 79971147) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 5-(3-cyclopropylphenyl)-3-propan-2-yl-2-propylimidazol-4-amine.

Molecular Properties

Compound Name5-(3-cyclopropylphenyl)-3-propan-2-yl-2-propylimidazol-4-amine
PubChem CID79971147
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name5-(3-cyclopropylphenyl)-3-propan-2-yl-2-propylimidazol-4-amine
SMILESCCCc1nc(-c2cccc(C3CC3)c2)c(N)n1C(C)C
InChIInChI=1S/C18H25N3/c1-4-6-16-20-17(18(19)21(16)12(2)3)15-8-5-7-14(11-15)13-9-10-13/h5,7-8,11-13H,4,6,9-10,19H2,1-3H3
InChIKeyKXQTYOGPMCMFGM-UHFFFAOYSA-N
XLogP4.54
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-cyclopropylphenyl)-3-propan-2-yl-2-propylimidazol-4-amine?
The IUPAC name of 5-(3-cyclopropylphenyl)-3-propan-2-yl-2-propylimidazol-4-amine (CID 79971147) is 5-(3-cyclopropylphenyl)-3-propan-2-yl-2-propylimidazol-4-amine.
What is the SMILES notation for 5-(3-cyclopropylphenyl)-3-propan-2-yl-2-propylimidazol-4-amine?
The canonical SMILES for 5-(3-cyclopropylphenyl)-3-propan-2-yl-2-propylimidazol-4-amine is CCCc1nc(-c2cccc(C3CC3)c2)c(N)n1C(C)C.
What is the InChIKey of 5-(3-cyclopropylphenyl)-3-propan-2-yl-2-propylimidazol-4-amine?
The InChIKey is KXQTYOGPMCMFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-4-6-16-20-17(18(19)21(16)12(2)3)15-8-5-7-14(11-15)13-9-10-13/h5,7-8,11-13H,4,6,9-10,19H2,1-3H3.
What are the key properties of 5-(3-cyclopropylphenyl)-3-propan-2-yl-2-propylimidazol-4-amine?
5-(3-cyclopropylphenyl)-3-propan-2-yl-2-propylimidazol-4-amine has a molecular weight of 283.42 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyclopropylphenyl)-3-propan-2-yl-2-propylimidazol-4-amine is sourced from PubChem (CID 79971147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).