4-imidazol-1-yl-N,N-diphenyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

C22H21N7 — CID 1266457

IUPAC4-imidazol-1-yl-N,N-diphenyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESc1ccc(N(c2ccccc2)c2nc(N3CCCC3)nc(-n3ccnc3)n2)cc1
InChIInChI=1S/C22H21N7/c1-3-9-18(10-4-1)29(19-11-5-2-6-12-19)22-25-20(27-14-7-8-15-27)24-21(26-22)28-16-13-23-17-28/h1-6,9-13,16-17H,7-8,14-15H2
InChIKeyVTRDOUXFVDTUID-UHFFFAOYSA-N
MW383.46 g/mol
LogP4.13
Rot. Bonds5

About 4-imidazol-1-yl-N,N-diphenyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

4-imidazol-1-yl-N,N-diphenyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 1266457) has the molecular formula C22H21N7 and a molecular weight of 383.46 g/mol. Its IUPAC name is 4-imidazol-1-yl-N,N-diphenyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-imidazol-1-yl-N,N-diphenyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
PubChem CID1266457
Molecular FormulaC22H21N7
Molecular Weight383.46 g/mol
Exact Mass383.19
IUPAC Name4-imidazol-1-yl-N,N-diphenyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESc1ccc(N(c2ccccc2)c2nc(N3CCCC3)nc(-n3ccnc3)n2)cc1
InChIInChI=1S/C22H21N7/c1-3-9-18(10-4-1)29(19-11-5-2-6-12-19)22-25-20(27-14-7-8-15-27)24-21(26-22)28-16-13-23-17-28/h1-6,9-13,16-17H,7-8,14-15H2
InChIKeyVTRDOUXFVDTUID-UHFFFAOYSA-N
XLogP4.13
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-imidazol-1-yl-N,N-diphenyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine with MolForge

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Related Compounds

1-(4-imidazol-1-yl-6-methoxy-1,3,5-triazin-2-yl)azepane
CID 30106396
1-(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)piperidin-4-ol
CID 80764330
4-imidazol-1-yl-2-piperidin-1-ylpyrimidine
CID 3071752
1-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)piperidine-3-carboxamide
CID 62869313
4-imidazol-1-yl-6-piperazin-1-yl-1,3,5-triazin-2-amine
CID 80837289
4-N-ethyl-4-N-phenyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80756957
N-[(4-imidazol-1-yl-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]aniline
CID 67036409
4-(4,4-dimethylpiperidin-1-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80823266
[4-imidazol-1-yl-6-(3-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]hydrazine
CID 80927857
2-imidazol-1-ylquinazoline-4-carboxamide
CID 172628387
1-(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)-4-methylpiperidin-3-ol
CID 102971053
1-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)azepane
CID 22488899

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-N,N-diphenyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-imidazol-1-yl-N,N-diphenyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (CID 1266457) is 4-imidazol-1-yl-N,N-diphenyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-imidazol-1-yl-N,N-diphenyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-imidazol-1-yl-N,N-diphenyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is c1ccc(N(c2ccccc2)c2nc(N3CCCC3)nc(-n3ccnc3)n2)cc1.
What is the InChIKey of 4-imidazol-1-yl-N,N-diphenyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is VTRDOUXFVDTUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7/c1-3-9-18(10-4-1)29(19-11-5-2-6-12-19)22-25-20(27-14-7-8-15-27)24-21(26-22)28-16-13-23-17-28/h1-6,9-13,16-17H,7-8,14-15H2.
What are the key properties of 4-imidazol-1-yl-N,N-diphenyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
4-imidazol-1-yl-N,N-diphenyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 383.46 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-N,N-diphenyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 1266457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).