N,N,2,2-tetramethyl-3-(4-phenyl-5-pyridin-4-ylimidazol-1-yl)propan-1-amine

C21H26N4 — CID 50981837

IUPACN,N,2,2-tetramethyl-3-(4-phenyl-5-pyridin-4-ylimidazol-1-yl)propan-1-amine
SMILESCN(C)CC(C)(C)Cn1cnc(-c2ccccc2)c1-c1ccncc1
InChIInChI=1S/C21H26N4/c1-21(2,14-24(3)4)15-25-16-23-19(17-8-6-5-7-9-17)20(25)18-10-12-22-13-11-18/h5-13,16H,14-15H2,1-4H3
InChIKeyMZDGCLFAMBGFTK-UHFFFAOYSA-N
MW334.47 g/mol
LogP4.20
Rot. Bonds6

About N,N,2,2-tetramethyl-3-(4-phenyl-5-pyridin-4-ylimidazol-1-yl)propan-1-amine

N,N,2,2-tetramethyl-3-(4-phenyl-5-pyridin-4-ylimidazol-1-yl)propan-1-amine (PubChem CID 50981837) has the molecular formula C21H26N4 and a molecular weight of 334.47 g/mol. Its IUPAC name is N,N,2,2-tetramethyl-3-(4-phenyl-5-pyridin-4-ylimidazol-1-yl)propan-1-amine.

Molecular Properties

Compound NameN,N,2,2-tetramethyl-3-(4-phenyl-5-pyridin-4-ylimidazol-1-yl)propan-1-amine
PubChem CID50981837
Molecular FormulaC21H26N4
Molecular Weight334.47 g/mol
Exact Mass334.22
IUPAC NameN,N,2,2-tetramethyl-3-(4-phenyl-5-pyridin-4-ylimidazol-1-yl)propan-1-amine
SMILESCN(C)CC(C)(C)Cn1cnc(-c2ccccc2)c1-c1ccncc1
InChIInChI=1S/C21H26N4/c1-21(2,14-24(3)4)15-25-16-23-19(17-8-6-5-7-9-17)20(25)18-10-12-22-13-11-18/h5-13,16H,14-15H2,1-4H3
InChIKeyMZDGCLFAMBGFTK-UHFFFAOYSA-N
XLogP4.20
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N,2,2-tetramethyl-3-(4-phenyl-5-pyridin-4-ylimidazol-1-yl)propan-1-amine?
The IUPAC name of N,N,2,2-tetramethyl-3-(4-phenyl-5-pyridin-4-ylimidazol-1-yl)propan-1-amine (CID 50981837) is N,N,2,2-tetramethyl-3-(4-phenyl-5-pyridin-4-ylimidazol-1-yl)propan-1-amine.
What is the SMILES notation for N,N,2,2-tetramethyl-3-(4-phenyl-5-pyridin-4-ylimidazol-1-yl)propan-1-amine?
The canonical SMILES for N,N,2,2-tetramethyl-3-(4-phenyl-5-pyridin-4-ylimidazol-1-yl)propan-1-amine is CN(C)CC(C)(C)Cn1cnc(-c2ccccc2)c1-c1ccncc1.
What is the InChIKey of N,N,2,2-tetramethyl-3-(4-phenyl-5-pyridin-4-ylimidazol-1-yl)propan-1-amine?
The InChIKey is MZDGCLFAMBGFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4/c1-21(2,14-24(3)4)15-25-16-23-19(17-8-6-5-7-9-17)20(25)18-10-12-22-13-11-18/h5-13,16H,14-15H2,1-4H3.
What are the key properties of N,N,2,2-tetramethyl-3-(4-phenyl-5-pyridin-4-ylimidazol-1-yl)propan-1-amine?
N,N,2,2-tetramethyl-3-(4-phenyl-5-pyridin-4-ylimidazol-1-yl)propan-1-amine has a molecular weight of 334.47 g/mol, XLogP of 4.20, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2,2-tetramethyl-3-(4-phenyl-5-pyridin-4-ylimidazol-1-yl)propan-1-amine is sourced from PubChem (CID 50981837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).