1-ethyl-5-methyl-5-(2-phenylethyl)-4H-imidazol-2-amine

C14H21N3 — CID 79510740

IUPAC1-ethyl-5-methyl-5-(2-phenylethyl)-4H-imidazol-2-amine
SMILESCCN1C(N)=NCC1(C)CCc1ccccc1
InChIInChI=1S/C14H21N3/c1-3-17-13(15)16-11-14(17,2)10-9-12-7-5-4-6-8-12/h4-8H,3,9-11H2,1-2H3,(H2,15,16)
InChIKeyXMHKVXYEDOTSFH-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.03
Rot. Bonds4

About 1-ethyl-5-methyl-5-(2-phenylethyl)-4H-imidazol-2-amine

1-ethyl-5-methyl-5-(2-phenylethyl)-4H-imidazol-2-amine (PubChem CID 79510740) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-ethyl-5-methyl-5-(2-phenylethyl)-4H-imidazol-2-amine.

Molecular Properties

Compound Name1-ethyl-5-methyl-5-(2-phenylethyl)-4H-imidazol-2-amine
PubChem CID79510740
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name1-ethyl-5-methyl-5-(2-phenylethyl)-4H-imidazol-2-amine
SMILESCCN1C(N)=NCC1(C)CCc1ccccc1
InChIInChI=1S/C14H21N3/c1-3-17-13(15)16-11-14(17,2)10-9-12-7-5-4-6-8-12/h4-8H,3,9-11H2,1-2H3,(H2,15,16)
InChIKeyXMHKVXYEDOTSFH-UHFFFAOYSA-N
XLogP2.03
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-methyl-5-(2-phenylethyl)-4H-imidazol-2-amine?
The IUPAC name of 1-ethyl-5-methyl-5-(2-phenylethyl)-4H-imidazol-2-amine (CID 79510740) is 1-ethyl-5-methyl-5-(2-phenylethyl)-4H-imidazol-2-amine.
What is the SMILES notation for 1-ethyl-5-methyl-5-(2-phenylethyl)-4H-imidazol-2-amine?
The canonical SMILES for 1-ethyl-5-methyl-5-(2-phenylethyl)-4H-imidazol-2-amine is CCN1C(N)=NCC1(C)CCc1ccccc1.
What is the InChIKey of 1-ethyl-5-methyl-5-(2-phenylethyl)-4H-imidazol-2-amine?
The InChIKey is XMHKVXYEDOTSFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-3-17-13(15)16-11-14(17,2)10-9-12-7-5-4-6-8-12/h4-8H,3,9-11H2,1-2H3,(H2,15,16).
What are the key properties of 1-ethyl-5-methyl-5-(2-phenylethyl)-4H-imidazol-2-amine?
1-ethyl-5-methyl-5-(2-phenylethyl)-4H-imidazol-2-amine has a molecular weight of 231.34 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-methyl-5-(2-phenylethyl)-4H-imidazol-2-amine is sourced from PubChem (CID 79510740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).