3-cyclopropyl-2-methyl-5-phenylimidazol-4-amine

C13H15N3 — CID 53275781

IUPAC3-cyclopropyl-2-methyl-5-phenylimidazol-4-amine
SMILESCc1nc(-c2ccccc2)c(N)n1C1CC1
InChIInChI=1S/C13H15N3/c1-9-15-12(10-5-3-2-4-6-10)13(14)16(9)11-7-8-11/h2-6,11H,7-8,14H2,1H3
InChIKeyLOTSSVSRLUCMGW-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.78
Rot. Bonds2

About 3-cyclopropyl-2-methyl-5-phenylimidazol-4-amine

3-cyclopropyl-2-methyl-5-phenylimidazol-4-amine (PubChem CID 53275781) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-cyclopropyl-2-methyl-5-phenylimidazol-4-amine.

Molecular Properties

Compound Name3-cyclopropyl-2-methyl-5-phenylimidazol-4-amine
PubChem CID53275781
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name3-cyclopropyl-2-methyl-5-phenylimidazol-4-amine
SMILESCc1nc(-c2ccccc2)c(N)n1C1CC1
InChIInChI=1S/C13H15N3/c1-9-15-12(10-5-3-2-4-6-10)13(14)16(9)11-7-8-11/h2-6,11H,7-8,14H2,1H3
InChIKeyLOTSSVSRLUCMGW-UHFFFAOYSA-N
XLogP2.78
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2-methyl-5-phenylimidazol-4-amine?
The IUPAC name of 3-cyclopropyl-2-methyl-5-phenylimidazol-4-amine (CID 53275781) is 3-cyclopropyl-2-methyl-5-phenylimidazol-4-amine.
What is the SMILES notation for 3-cyclopropyl-2-methyl-5-phenylimidazol-4-amine?
The canonical SMILES for 3-cyclopropyl-2-methyl-5-phenylimidazol-4-amine is Cc1nc(-c2ccccc2)c(N)n1C1CC1.
What is the InChIKey of 3-cyclopropyl-2-methyl-5-phenylimidazol-4-amine?
The InChIKey is LOTSSVSRLUCMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-9-15-12(10-5-3-2-4-6-10)13(14)16(9)11-7-8-11/h2-6,11H,7-8,14H2,1H3.
What are the key properties of 3-cyclopropyl-2-methyl-5-phenylimidazol-4-amine?
3-cyclopropyl-2-methyl-5-phenylimidazol-4-amine has a molecular weight of 213.28 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2-methyl-5-phenylimidazol-4-amine is sourced from PubChem (CID 53275781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).