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

C16H23N3 — CID 62219942

IUPAC5-(2-methylphenyl)-3-propan-2-yl-2-propylimidazol-4-amine
SMILESCCCc1nc(-c2ccccc2C)c(N)n1C(C)C
InChIInChI=1S/C16H23N3/c1-5-8-14-18-15(16(17)19(14)11(2)3)13-10-7-6-9-12(13)4/h6-7,9-11H,5,8,17H2,1-4H3
InChIKeyRVVSPQDDQKFVNW-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.97
Rot. Bonds4

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

5-(2-methylphenyl)-3-propan-2-yl-2-propylimidazol-4-amine (PubChem CID 62219942) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 5-(2-methylphenyl)-3-propan-2-yl-2-propylimidazol-4-amine.

Molecular Properties

Compound Name5-(2-methylphenyl)-3-propan-2-yl-2-propylimidazol-4-amine
PubChem CID62219942
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name5-(2-methylphenyl)-3-propan-2-yl-2-propylimidazol-4-amine
SMILESCCCc1nc(-c2ccccc2C)c(N)n1C(C)C
InChIInChI=1S/C16H23N3/c1-5-8-14-18-15(16(17)19(14)11(2)3)13-10-7-6-9-12(13)4/h6-7,9-11H,5,8,17H2,1-4H3
InChIKeyRVVSPQDDQKFVNW-UHFFFAOYSA-N
XLogP3.97
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylphenyl)-3-propan-2-yl-2-propylimidazol-4-amine?
The IUPAC name of 5-(2-methylphenyl)-3-propan-2-yl-2-propylimidazol-4-amine (CID 62219942) is 5-(2-methylphenyl)-3-propan-2-yl-2-propylimidazol-4-amine.
What is the SMILES notation for 5-(2-methylphenyl)-3-propan-2-yl-2-propylimidazol-4-amine?
The canonical SMILES for 5-(2-methylphenyl)-3-propan-2-yl-2-propylimidazol-4-amine is CCCc1nc(-c2ccccc2C)c(N)n1C(C)C.
What is the InChIKey of 5-(2-methylphenyl)-3-propan-2-yl-2-propylimidazol-4-amine?
The InChIKey is RVVSPQDDQKFVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-5-8-14-18-15(16(17)19(14)11(2)3)13-10-7-6-9-12(13)4/h6-7,9-11H,5,8,17H2,1-4H3.
What are the key properties of 5-(2-methylphenyl)-3-propan-2-yl-2-propylimidazol-4-amine?
5-(2-methylphenyl)-3-propan-2-yl-2-propylimidazol-4-amine has a molecular weight of 257.38 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylphenyl)-3-propan-2-yl-2-propylimidazol-4-amine is sourced from PubChem (CID 62219942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).