1-(2-methylpropyl)-N-(2-phenylcyclopropyl)imidazol-2-amine

C16H21N3 — CID 106565515

IUPAC1-(2-methylpropyl)-N-(2-phenylcyclopropyl)imidazol-2-amine
SMILESCC(C)Cn1ccnc1NC1CC1c1ccccc1
InChIInChI=1S/C16H21N3/c1-12(2)11-19-9-8-17-16(19)18-15-10-14(15)13-6-4-3-5-7-13/h3-9,12,14-15H,10-11H2,1-2H3,(H,17,18)
InChIKeyFKEJGZQPZASLMN-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.51
Rot. Bonds5

About 1-(2-methylpropyl)-N-(2-phenylcyclopropyl)imidazol-2-amine

1-(2-methylpropyl)-N-(2-phenylcyclopropyl)imidazol-2-amine (PubChem CID 106565515) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 1-(2-methylpropyl)-N-(2-phenylcyclopropyl)imidazol-2-amine.

Molecular Properties

Compound Name1-(2-methylpropyl)-N-(2-phenylcyclopropyl)imidazol-2-amine
PubChem CID106565515
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name1-(2-methylpropyl)-N-(2-phenylcyclopropyl)imidazol-2-amine
SMILESCC(C)Cn1ccnc1NC1CC1c1ccccc1
InChIInChI=1S/C16H21N3/c1-12(2)11-19-9-8-17-16(19)18-15-10-14(15)13-6-4-3-5-7-13/h3-9,12,14-15H,10-11H2,1-2H3,(H,17,18)
InChIKeyFKEJGZQPZASLMN-UHFFFAOYSA-N
XLogP3.51
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-N-(2-phenylcyclopropyl)imidazol-2-amine?
The IUPAC name of 1-(2-methylpropyl)-N-(2-phenylcyclopropyl)imidazol-2-amine (CID 106565515) is 1-(2-methylpropyl)-N-(2-phenylcyclopropyl)imidazol-2-amine.
What is the SMILES notation for 1-(2-methylpropyl)-N-(2-phenylcyclopropyl)imidazol-2-amine?
The canonical SMILES for 1-(2-methylpropyl)-N-(2-phenylcyclopropyl)imidazol-2-amine is CC(C)Cn1ccnc1NC1CC1c1ccccc1.
What is the InChIKey of 1-(2-methylpropyl)-N-(2-phenylcyclopropyl)imidazol-2-amine?
The InChIKey is FKEJGZQPZASLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-12(2)11-19-9-8-17-16(19)18-15-10-14(15)13-6-4-3-5-7-13/h3-9,12,14-15H,10-11H2,1-2H3,(H,17,18).
What are the key properties of 1-(2-methylpropyl)-N-(2-phenylcyclopropyl)imidazol-2-amine?
1-(2-methylpropyl)-N-(2-phenylcyclopropyl)imidazol-2-amine has a molecular weight of 255.37 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-N-(2-phenylcyclopropyl)imidazol-2-amine is sourced from PubChem (CID 106565515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).