3-butyl-2-cyclopropyl-5-(2-methylphenyl)imidazol-4-amine

C17H23N3 — CID 62220576

IUPAC3-butyl-2-cyclopropyl-5-(2-methylphenyl)imidazol-4-amine
SMILESCCCCn1c(C2CC2)nc(-c2ccccc2C)c1N
InChIInChI=1S/C17H23N3/c1-3-4-11-20-16(18)15(19-17(20)13-9-10-13)14-8-6-5-7-12(14)2/h5-8,13H,3-4,9-11,18H2,1-2H3
InChIKeyPIDKHJRLRJLHHL-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.12
Rot. Bonds5

About 3-butyl-2-cyclopropyl-5-(2-methylphenyl)imidazol-4-amine

3-butyl-2-cyclopropyl-5-(2-methylphenyl)imidazol-4-amine (PubChem CID 62220576) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 3-butyl-2-cyclopropyl-5-(2-methylphenyl)imidazol-4-amine.

Molecular Properties

Compound Name3-butyl-2-cyclopropyl-5-(2-methylphenyl)imidazol-4-amine
PubChem CID62220576
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name3-butyl-2-cyclopropyl-5-(2-methylphenyl)imidazol-4-amine
SMILESCCCCn1c(C2CC2)nc(-c2ccccc2C)c1N
InChIInChI=1S/C17H23N3/c1-3-4-11-20-16(18)15(19-17(20)13-9-10-13)14-8-6-5-7-12(14)2/h5-8,13H,3-4,9-11,18H2,1-2H3
InChIKeyPIDKHJRLRJLHHL-UHFFFAOYSA-N
XLogP4.12
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-2-cyclopropyl-5-(2-methylphenyl)imidazol-4-amine?
The IUPAC name of 3-butyl-2-cyclopropyl-5-(2-methylphenyl)imidazol-4-amine (CID 62220576) is 3-butyl-2-cyclopropyl-5-(2-methylphenyl)imidazol-4-amine.
What is the SMILES notation for 3-butyl-2-cyclopropyl-5-(2-methylphenyl)imidazol-4-amine?
The canonical SMILES for 3-butyl-2-cyclopropyl-5-(2-methylphenyl)imidazol-4-amine is CCCCn1c(C2CC2)nc(-c2ccccc2C)c1N.
What is the InChIKey of 3-butyl-2-cyclopropyl-5-(2-methylphenyl)imidazol-4-amine?
The InChIKey is PIDKHJRLRJLHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-3-4-11-20-16(18)15(19-17(20)13-9-10-13)14-8-6-5-7-12(14)2/h5-8,13H,3-4,9-11,18H2,1-2H3.
What are the key properties of 3-butyl-2-cyclopropyl-5-(2-methylphenyl)imidazol-4-amine?
3-butyl-2-cyclopropyl-5-(2-methylphenyl)imidazol-4-amine has a molecular weight of 269.39 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2-cyclopropyl-5-(2-methylphenyl)imidazol-4-amine is sourced from PubChem (CID 62220576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).