3-[5-(1H-imidazol-2-yl)-4-phenylimidazol-1-yl]-N,N,2,2-tetramethylpropan-1-amine

C19H25N5 — CID 50978013

IUPAC3-[5-(1H-imidazol-2-yl)-4-phenylimidazol-1-yl]-N,N,2,2-tetramethylpropan-1-amine
SMILESCN(C)CC(C)(C)Cn1cnc(-c2ccccc2)c1-c1ncc[nH]1
InChIInChI=1S/C19H25N5/c1-19(2,12-23(3)4)13-24-14-22-16(15-8-6-5-7-9-15)17(24)18-20-10-11-21-18/h5-11,14H,12-13H2,1-4H3,(H,20,21)
InChIKeyRGRYKFBXJADEMV-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.53
Rot. Bonds6

About 3-[5-(1H-imidazol-2-yl)-4-phenylimidazol-1-yl]-N,N,2,2-tetramethylpropan-1-amine

3-[5-(1H-imidazol-2-yl)-4-phenylimidazol-1-yl]-N,N,2,2-tetramethylpropan-1-amine (PubChem CID 50978013) has the molecular formula C19H25N5 and a molecular weight of 323.44 g/mol. Its IUPAC name is 3-[5-(1H-imidazol-2-yl)-4-phenylimidazol-1-yl]-N,N,2,2-tetramethylpropan-1-amine.

Molecular Properties

Compound Name3-[5-(1H-imidazol-2-yl)-4-phenylimidazol-1-yl]-N,N,2,2-tetramethylpropan-1-amine
PubChem CID50978013
Molecular FormulaC19H25N5
Molecular Weight323.44 g/mol
Exact Mass323.21
IUPAC Name3-[5-(1H-imidazol-2-yl)-4-phenylimidazol-1-yl]-N,N,2,2-tetramethylpropan-1-amine
SMILESCN(C)CC(C)(C)Cn1cnc(-c2ccccc2)c1-c1ncc[nH]1
InChIInChI=1S/C19H25N5/c1-19(2,12-23(3)4)13-24-14-22-16(15-8-6-5-7-9-15)17(24)18-20-10-11-21-18/h5-11,14H,12-13H2,1-4H3,(H,20,21)
InChIKeyRGRYKFBXJADEMV-UHFFFAOYSA-N
XLogP3.53
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(1H-imidazol-2-yl)-4-phenylimidazol-1-yl]-N,N,2,2-tetramethylpropan-1-amine?
The IUPAC name of 3-[5-(1H-imidazol-2-yl)-4-phenylimidazol-1-yl]-N,N,2,2-tetramethylpropan-1-amine (CID 50978013) is 3-[5-(1H-imidazol-2-yl)-4-phenylimidazol-1-yl]-N,N,2,2-tetramethylpropan-1-amine.
What is the SMILES notation for 3-[5-(1H-imidazol-2-yl)-4-phenylimidazol-1-yl]-N,N,2,2-tetramethylpropan-1-amine?
The canonical SMILES for 3-[5-(1H-imidazol-2-yl)-4-phenylimidazol-1-yl]-N,N,2,2-tetramethylpropan-1-amine is CN(C)CC(C)(C)Cn1cnc(-c2ccccc2)c1-c1ncc[nH]1.
What is the InChIKey of 3-[5-(1H-imidazol-2-yl)-4-phenylimidazol-1-yl]-N,N,2,2-tetramethylpropan-1-amine?
The InChIKey is RGRYKFBXJADEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5/c1-19(2,12-23(3)4)13-24-14-22-16(15-8-6-5-7-9-15)17(24)18-20-10-11-21-18/h5-11,14H,12-13H2,1-4H3,(H,20,21).
What are the key properties of 3-[5-(1H-imidazol-2-yl)-4-phenylimidazol-1-yl]-N,N,2,2-tetramethylpropan-1-amine?
3-[5-(1H-imidazol-2-yl)-4-phenylimidazol-1-yl]-N,N,2,2-tetramethylpropan-1-amine has a molecular weight of 323.44 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1H-imidazol-2-yl)-4-phenylimidazol-1-yl]-N,N,2,2-tetramethylpropan-1-amine is sourced from PubChem (CID 50978013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).