1-cyclopropyl-N-(2,6-diethylphenyl)imidazol-2-amine

C16H21N3 — CID 106556079

IUPAC1-cyclopropyl-N-(2,6-diethylphenyl)imidazol-2-amine
SMILESCCc1cccc(CC)c1Nc1nccn1C1CC1
InChIInChI=1S/C16H21N3/c1-3-12-6-5-7-13(4-2)15(12)18-16-17-10-11-19(16)14-8-9-14/h5-7,10-11,14H,3-4,8-9H2,1-2H3,(H,17,18)
InChIKeyIXJINGSWMVYRGJ-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.09
Rot. Bonds5

About 1-cyclopropyl-N-(2,6-diethylphenyl)imidazol-2-amine

1-cyclopropyl-N-(2,6-diethylphenyl)imidazol-2-amine (PubChem CID 106556079) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-cyclopropyl-N-(2,6-diethylphenyl)imidazol-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-(2,6-diethylphenyl)imidazol-2-amine
PubChem CID106556079
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC Name1-cyclopropyl-N-(2,6-diethylphenyl)imidazol-2-amine
SMILESCCc1cccc(CC)c1Nc1nccn1C1CC1
InChIInChI=1S/C16H21N3/c1-3-12-6-5-7-13(4-2)15(12)18-16-17-10-11-19(16)14-8-9-14/h5-7,10-11,14H,3-4,8-9H2,1-2H3,(H,17,18)
InChIKeyIXJINGSWMVYRGJ-UHFFFAOYSA-N
XLogP4.09
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(2,6-diethylphenyl)imidazol-2-amine?
The IUPAC name of 1-cyclopropyl-N-(2,6-diethylphenyl)imidazol-2-amine (CID 106556079) is 1-cyclopropyl-N-(2,6-diethylphenyl)imidazol-2-amine.
What is the SMILES notation for 1-cyclopropyl-N-(2,6-diethylphenyl)imidazol-2-amine?
The canonical SMILES for 1-cyclopropyl-N-(2,6-diethylphenyl)imidazol-2-amine is CCc1cccc(CC)c1Nc1nccn1C1CC1.
What is the InChIKey of 1-cyclopropyl-N-(2,6-diethylphenyl)imidazol-2-amine?
The InChIKey is IXJINGSWMVYRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-3-12-6-5-7-13(4-2)15(12)18-16-17-10-11-19(16)14-8-9-14/h5-7,10-11,14H,3-4,8-9H2,1-2H3,(H,17,18).
What are the key properties of 1-cyclopropyl-N-(2,6-diethylphenyl)imidazol-2-amine?
1-cyclopropyl-N-(2,6-diethylphenyl)imidazol-2-amine has a molecular weight of 255.36 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(2,6-diethylphenyl)imidazol-2-amine is sourced from PubChem (CID 106556079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).