(5S)-N,N,5-trimethyl-1-(2-phenylethyl)-4,5-dihydroimidazol-2-amine

C14H21N3 — CID 25102711

IUPAC(5S)-N,N,5-trimethyl-1-(2-phenylethyl)-4,5-dihydroimidazol-2-amine
SMILESC[C@H]1CN=C(N(C)C)N1CCc1ccccc1
InChIInChI=1S/C14H21N3/c1-12-11-15-14(16(2)3)17(12)10-9-13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3/t12-/m0/s1
InChIKeyPCXGHISQRZYOHP-LBPRGKRZSA-N
MW231.34 g/mol
LogP1.85
Rot. Bonds3

About (5S)-N,N,5-trimethyl-1-(2-phenylethyl)-4,5-dihydroimidazol-2-amine

(5S)-N,N,5-trimethyl-1-(2-phenylethyl)-4,5-dihydroimidazol-2-amine (PubChem CID 25102711) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is (5S)-N,N,5-trimethyl-1-(2-phenylethyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name(5S)-N,N,5-trimethyl-1-(2-phenylethyl)-4,5-dihydroimidazol-2-amine
PubChem CID25102711
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name(5S)-N,N,5-trimethyl-1-(2-phenylethyl)-4,5-dihydroimidazol-2-amine
SMILESC[C@H]1CN=C(N(C)C)N1CCc1ccccc1
InChIInChI=1S/C14H21N3/c1-12-11-15-14(16(2)3)17(12)10-9-13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3/t12-/m0/s1
InChIKeyPCXGHISQRZYOHP-LBPRGKRZSA-N
XLogP1.85
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-N,N,5-trimethyl-1-(2-phenylethyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of (5S)-N,N,5-trimethyl-1-(2-phenylethyl)-4,5-dihydroimidazol-2-amine (CID 25102711) is (5S)-N,N,5-trimethyl-1-(2-phenylethyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for (5S)-N,N,5-trimethyl-1-(2-phenylethyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for (5S)-N,N,5-trimethyl-1-(2-phenylethyl)-4,5-dihydroimidazol-2-amine is C[C@H]1CN=C(N(C)C)N1CCc1ccccc1.
What is the InChIKey of (5S)-N,N,5-trimethyl-1-(2-phenylethyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is PCXGHISQRZYOHP-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H21N3/c1-12-11-15-14(16(2)3)17(12)10-9-13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3/t12-/m0/s1.
What are the key properties of (5S)-N,N,5-trimethyl-1-(2-phenylethyl)-4,5-dihydroimidazol-2-amine?
(5S)-N,N,5-trimethyl-1-(2-phenylethyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 231.34 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N,N,5-trimethyl-1-(2-phenylethyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 25102711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).