3-butyl-5-(3-cyclopropylimidazol-4-yl)-2-propylimidazol-4-amine

C16H25N5 — CID 66161916

IUPAC3-butyl-5-(3-cyclopropylimidazol-4-yl)-2-propylimidazol-4-amine
SMILESCCCCn1c(CCC)nc(-c2cncn2C2CC2)c1N
InChIInChI=1S/C16H25N5/c1-3-5-9-20-14(6-4-2)19-15(16(20)17)13-10-18-11-21(13)12-7-8-12/h10-12H,3-9,17H2,1-2H3
InChIKeyDWMNPIHAOBZPEF-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.42
Rot. Bonds7

About 3-butyl-5-(3-cyclopropylimidazol-4-yl)-2-propylimidazol-4-amine

3-butyl-5-(3-cyclopropylimidazol-4-yl)-2-propylimidazol-4-amine (PubChem CID 66161916) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is 3-butyl-5-(3-cyclopropylimidazol-4-yl)-2-propylimidazol-4-amine.

Molecular Properties

Compound Name3-butyl-5-(3-cyclopropylimidazol-4-yl)-2-propylimidazol-4-amine
PubChem CID66161916
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC Name3-butyl-5-(3-cyclopropylimidazol-4-yl)-2-propylimidazol-4-amine
SMILESCCCCn1c(CCC)nc(-c2cncn2C2CC2)c1N
InChIInChI=1S/C16H25N5/c1-3-5-9-20-14(6-4-2)19-15(16(20)17)13-10-18-11-21(13)12-7-8-12/h10-12H,3-9,17H2,1-2H3
InChIKeyDWMNPIHAOBZPEF-UHFFFAOYSA-N
XLogP3.42
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-5-(3-cyclopropylimidazol-4-yl)-2-propylimidazol-4-amine?
The IUPAC name of 3-butyl-5-(3-cyclopropylimidazol-4-yl)-2-propylimidazol-4-amine (CID 66161916) is 3-butyl-5-(3-cyclopropylimidazol-4-yl)-2-propylimidazol-4-amine.
What is the SMILES notation for 3-butyl-5-(3-cyclopropylimidazol-4-yl)-2-propylimidazol-4-amine?
The canonical SMILES for 3-butyl-5-(3-cyclopropylimidazol-4-yl)-2-propylimidazol-4-amine is CCCCn1c(CCC)nc(-c2cncn2C2CC2)c1N.
What is the InChIKey of 3-butyl-5-(3-cyclopropylimidazol-4-yl)-2-propylimidazol-4-amine?
The InChIKey is DWMNPIHAOBZPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5/c1-3-5-9-20-14(6-4-2)19-15(16(20)17)13-10-18-11-21(13)12-7-8-12/h10-12H,3-9,17H2,1-2H3.
What are the key properties of 3-butyl-5-(3-cyclopropylimidazol-4-yl)-2-propylimidazol-4-amine?
3-butyl-5-(3-cyclopropylimidazol-4-yl)-2-propylimidazol-4-amine has a molecular weight of 287.41 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-5-(3-cyclopropylimidazol-4-yl)-2-propylimidazol-4-amine is sourced from PubChem (CID 66161916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).