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

C13H15N3 — CID 62133656

IUPAC1-methyl-N-(2-phenylcyclopropyl)imidazol-2-amine
SMILESCn1ccnc1NC1CC1c1ccccc1
InChIInChI=1S/C13H15N3/c1-16-8-7-14-13(16)15-12-9-11(12)10-5-3-2-4-6-10/h2-8,11-12H,9H2,1H3,(H,14,15)
InChIKeyLGBRVCIMCNPKMM-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.39
Rot. Bonds3

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

1-methyl-N-(2-phenylcyclopropyl)imidazol-2-amine (PubChem CID 62133656) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-methyl-N-(2-phenylcyclopropyl)imidazol-2-amine.

Molecular Properties

Compound Name1-methyl-N-(2-phenylcyclopropyl)imidazol-2-amine
PubChem CID62133656
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name1-methyl-N-(2-phenylcyclopropyl)imidazol-2-amine
SMILESCn1ccnc1NC1CC1c1ccccc1
InChIInChI=1S/C13H15N3/c1-16-8-7-14-13(16)15-12-9-11(12)10-5-3-2-4-6-10/h2-8,11-12H,9H2,1H3,(H,14,15)
InChIKeyLGBRVCIMCNPKMM-UHFFFAOYSA-N
XLogP2.39
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-phenylcyclopropyl)imidazol-2-amine?
The IUPAC name of 1-methyl-N-(2-phenylcyclopropyl)imidazol-2-amine (CID 62133656) is 1-methyl-N-(2-phenylcyclopropyl)imidazol-2-amine.
What is the SMILES notation for 1-methyl-N-(2-phenylcyclopropyl)imidazol-2-amine?
The canonical SMILES for 1-methyl-N-(2-phenylcyclopropyl)imidazol-2-amine is Cn1ccnc1NC1CC1c1ccccc1.
What is the InChIKey of 1-methyl-N-(2-phenylcyclopropyl)imidazol-2-amine?
The InChIKey is LGBRVCIMCNPKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-16-8-7-14-13(16)15-12-9-11(12)10-5-3-2-4-6-10/h2-8,11-12H,9H2,1H3,(H,14,15).
What are the key properties of 1-methyl-N-(2-phenylcyclopropyl)imidazol-2-amine?
1-methyl-N-(2-phenylcyclopropyl)imidazol-2-amine has a molecular weight of 213.28 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-phenylcyclopropyl)imidazol-2-amine is sourced from PubChem (CID 62133656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).