N-(2-imidazol-1-ylethyl)-4-methyl-1-prop-2-enylimidazol-2-amine

C12H17N5 — CID 106569292

IUPACN-(2-imidazol-1-ylethyl)-4-methyl-1-prop-2-enylimidazol-2-amine
SMILESC=CCn1cc(C)nc1NCCn1ccnc1
InChIInChI=1S/C12H17N5/c1-3-6-17-9-11(2)15-12(17)14-5-8-16-7-4-13-10-16/h3-4,7,9-10H,1,5-6,8H2,2H3,(H,14,15)
InChIKeyHPGXWPKRRLXJIG-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.69
Rot. Bonds6

About N-(2-imidazol-1-ylethyl)-4-methyl-1-prop-2-enylimidazol-2-amine

N-(2-imidazol-1-ylethyl)-4-methyl-1-prop-2-enylimidazol-2-amine (PubChem CID 106569292) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is N-(2-imidazol-1-ylethyl)-4-methyl-1-prop-2-enylimidazol-2-amine.

Molecular Properties

Compound NameN-(2-imidazol-1-ylethyl)-4-methyl-1-prop-2-enylimidazol-2-amine
PubChem CID106569292
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC NameN-(2-imidazol-1-ylethyl)-4-methyl-1-prop-2-enylimidazol-2-amine
SMILESC=CCn1cc(C)nc1NCCn1ccnc1
InChIInChI=1S/C12H17N5/c1-3-6-17-9-11(2)15-12(17)14-5-8-16-7-4-13-10-16/h3-4,7,9-10H,1,5-6,8H2,2H3,(H,14,15)
InChIKeyHPGXWPKRRLXJIG-UHFFFAOYSA-N
XLogP1.69
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylethyl)-4-methyl-1-prop-2-enylimidazol-2-amine?
The IUPAC name of N-(2-imidazol-1-ylethyl)-4-methyl-1-prop-2-enylimidazol-2-amine (CID 106569292) is N-(2-imidazol-1-ylethyl)-4-methyl-1-prop-2-enylimidazol-2-amine.
What is the SMILES notation for N-(2-imidazol-1-ylethyl)-4-methyl-1-prop-2-enylimidazol-2-amine?
The canonical SMILES for N-(2-imidazol-1-ylethyl)-4-methyl-1-prop-2-enylimidazol-2-amine is C=CCn1cc(C)nc1NCCn1ccnc1.
What is the InChIKey of N-(2-imidazol-1-ylethyl)-4-methyl-1-prop-2-enylimidazol-2-amine?
The InChIKey is HPGXWPKRRLXJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-3-6-17-9-11(2)15-12(17)14-5-8-16-7-4-13-10-16/h3-4,7,9-10H,1,5-6,8H2,2H3,(H,14,15).
What are the key properties of N-(2-imidazol-1-ylethyl)-4-methyl-1-prop-2-enylimidazol-2-amine?
N-(2-imidazol-1-ylethyl)-4-methyl-1-prop-2-enylimidazol-2-amine has a molecular weight of 231.30 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylethyl)-4-methyl-1-prop-2-enylimidazol-2-amine is sourced from PubChem (CID 106569292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).