5-[2-[(4R)-4-methyl-3-phenylimidazolidin-1-yl]phenyl]-1H-1,2,4-triazole

C18H19N5 — CID 130387269

IUPAC5-[2-[(4R)-4-methyl-3-phenylimidazolidin-1-yl]phenyl]-1H-1,2,4-triazole
SMILESC[C@@H]1CN(c2ccccc2-c2ncn[nH]2)CN1c1ccccc1
InChIInChI=1S/C18H19N5/c1-14-11-22(13-23(14)15-7-3-2-4-8-15)17-10-6-5-9-16(17)18-19-12-20-21-18/h2-10,12,14H,11,13H2,1H3,(H,19,20,21)/t14-/m1/s1
InChIKeySGYKCOYQQZQNCJ-CQSZACIVSA-N
MW305.39 g/mol
LogP3.14
Rot. Bonds3

About 5-[2-[(4R)-4-methyl-3-phenylimidazolidin-1-yl]phenyl]-1H-1,2,4-triazole

5-[2-[(4R)-4-methyl-3-phenylimidazolidin-1-yl]phenyl]-1H-1,2,4-triazole (PubChem CID 130387269) has the molecular formula C18H19N5 and a molecular weight of 305.39 g/mol. Its IUPAC name is 5-[2-[(4R)-4-methyl-3-phenylimidazolidin-1-yl]phenyl]-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-[2-[(4R)-4-methyl-3-phenylimidazolidin-1-yl]phenyl]-1H-1,2,4-triazole
PubChem CID130387269
Molecular FormulaC18H19N5
Molecular Weight305.39 g/mol
Exact Mass305.16
IUPAC Name5-[2-[(4R)-4-methyl-3-phenylimidazolidin-1-yl]phenyl]-1H-1,2,4-triazole
SMILESC[C@@H]1CN(c2ccccc2-c2ncn[nH]2)CN1c1ccccc1
InChIInChI=1S/C18H19N5/c1-14-11-22(13-23(14)15-7-3-2-4-8-15)17-10-6-5-9-16(17)18-19-12-20-21-18/h2-10,12,14H,11,13H2,1H3,(H,19,20,21)/t14-/m1/s1
InChIKeySGYKCOYQQZQNCJ-CQSZACIVSA-N
XLogP3.14
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.39
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[(4R)-4-methyl-3-phenylimidazolidin-1-yl]phenyl]-1H-1,2,4-triazole?
The IUPAC name of 5-[2-[(4R)-4-methyl-3-phenylimidazolidin-1-yl]phenyl]-1H-1,2,4-triazole (CID 130387269) is 5-[2-[(4R)-4-methyl-3-phenylimidazolidin-1-yl]phenyl]-1H-1,2,4-triazole.
What is the SMILES notation for 5-[2-[(4R)-4-methyl-3-phenylimidazolidin-1-yl]phenyl]-1H-1,2,4-triazole?
The canonical SMILES for 5-[2-[(4R)-4-methyl-3-phenylimidazolidin-1-yl]phenyl]-1H-1,2,4-triazole is C[C@@H]1CN(c2ccccc2-c2ncn[nH]2)CN1c1ccccc1.
What is the InChIKey of 5-[2-[(4R)-4-methyl-3-phenylimidazolidin-1-yl]phenyl]-1H-1,2,4-triazole?
The InChIKey is SGYKCOYQQZQNCJ-CQSZACIVSA-N. The full InChI is InChI=1S/C18H19N5/c1-14-11-22(13-23(14)15-7-3-2-4-8-15)17-10-6-5-9-16(17)18-19-12-20-21-18/h2-10,12,14H,11,13H2,1H3,(H,19,20,21)/t14-/m1/s1.
What are the key properties of 5-[2-[(4R)-4-methyl-3-phenylimidazolidin-1-yl]phenyl]-1H-1,2,4-triazole?
5-[2-[(4R)-4-methyl-3-phenylimidazolidin-1-yl]phenyl]-1H-1,2,4-triazole has a molecular weight of 305.39 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(4R)-4-methyl-3-phenylimidazolidin-1-yl]phenyl]-1H-1,2,4-triazole is sourced from PubChem (CID 130387269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).