N,N-diethyl-2-[5-(1H-imidazol-2-yl)-4-phenylimidazol-1-yl]ethanamine

C18H23N5 — CID 50970161

IUPACN,N-diethyl-2-[5-(1H-imidazol-2-yl)-4-phenylimidazol-1-yl]ethanamine
SMILESCCN(CC)CCn1cnc(-c2ccccc2)c1-c1ncc[nH]1
InChIInChI=1S/C18H23N5/c1-3-22(4-2)12-13-23-14-21-16(15-8-6-5-7-9-15)17(23)18-19-10-11-20-18/h5-11,14H,3-4,12-13H2,1-2H3,(H,19,20)
InChIKeyNEVJUFZMEQGXGD-UHFFFAOYSA-N
MW309.42 g/mol
LogP3.28
Rot. Bonds7

About N,N-diethyl-2-[5-(1H-imidazol-2-yl)-4-phenylimidazol-1-yl]ethanamine

N,N-diethyl-2-[5-(1H-imidazol-2-yl)-4-phenylimidazol-1-yl]ethanamine (PubChem CID 50970161) has the molecular formula C18H23N5 and a molecular weight of 309.42 g/mol. Its IUPAC name is N,N-diethyl-2-[5-(1H-imidazol-2-yl)-4-phenylimidazol-1-yl]ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-[5-(1H-imidazol-2-yl)-4-phenylimidazol-1-yl]ethanamine
PubChem CID50970161
Molecular FormulaC18H23N5
Molecular Weight309.42 g/mol
Exact Mass309.20
IUPAC NameN,N-diethyl-2-[5-(1H-imidazol-2-yl)-4-phenylimidazol-1-yl]ethanamine
SMILESCCN(CC)CCn1cnc(-c2ccccc2)c1-c1ncc[nH]1
InChIInChI=1S/C18H23N5/c1-3-22(4-2)12-13-23-14-21-16(15-8-6-5-7-9-15)17(23)18-19-10-11-20-18/h5-11,14H,3-4,12-13H2,1-2H3,(H,19,20)
InChIKeyNEVJUFZMEQGXGD-UHFFFAOYSA-N
XLogP3.28
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[5-(1H-imidazol-2-yl)-4-phenylimidazol-1-yl]ethanamine?
The IUPAC name of N,N-diethyl-2-[5-(1H-imidazol-2-yl)-4-phenylimidazol-1-yl]ethanamine (CID 50970161) is N,N-diethyl-2-[5-(1H-imidazol-2-yl)-4-phenylimidazol-1-yl]ethanamine.
What is the SMILES notation for N,N-diethyl-2-[5-(1H-imidazol-2-yl)-4-phenylimidazol-1-yl]ethanamine?
The canonical SMILES for N,N-diethyl-2-[5-(1H-imidazol-2-yl)-4-phenylimidazol-1-yl]ethanamine is CCN(CC)CCn1cnc(-c2ccccc2)c1-c1ncc[nH]1.
What is the InChIKey of N,N-diethyl-2-[5-(1H-imidazol-2-yl)-4-phenylimidazol-1-yl]ethanamine?
The InChIKey is NEVJUFZMEQGXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5/c1-3-22(4-2)12-13-23-14-21-16(15-8-6-5-7-9-15)17(23)18-19-10-11-20-18/h5-11,14H,3-4,12-13H2,1-2H3,(H,19,20).
What are the key properties of N,N-diethyl-2-[5-(1H-imidazol-2-yl)-4-phenylimidazol-1-yl]ethanamine?
N,N-diethyl-2-[5-(1H-imidazol-2-yl)-4-phenylimidazol-1-yl]ethanamine has a molecular weight of 309.42 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[5-(1H-imidazol-2-yl)-4-phenylimidazol-1-yl]ethanamine is sourced from PubChem (CID 50970161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).