2-[(1,3-dimethyl-4,5-diphenylimidazolidin-2-ylidene)amino]propan-1-ol

C20H25N3O — CID 123724697

IUPAC2-[(1,3-dimethyl-4,5-diphenylimidazolidin-2-ylidene)amino]propan-1-ol
SMILESCC(CO)N=C1N(C)C(c2ccccc2)C(c2ccccc2)N1C
InChIInChI=1S/C20H25N3O/c1-15(14-24)21-20-22(2)18(16-10-6-4-7-11-16)19(23(20)3)17-12-8-5-9-13-17/h4-13,15,18-19,24H,14H2,1-3H3
InChIKeyLZFVQTXUZNHEOE-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.08
Rot. Bonds4

About 2-[(1,3-dimethyl-4,5-diphenylimidazolidin-2-ylidene)amino]propan-1-ol

2-[(1,3-dimethyl-4,5-diphenylimidazolidin-2-ylidene)amino]propan-1-ol (PubChem CID 123724697) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-[(1,3-dimethyl-4,5-diphenylimidazolidin-2-ylidene)amino]propan-1-ol.

Molecular Properties

Compound Name2-[(1,3-dimethyl-4,5-diphenylimidazolidin-2-ylidene)amino]propan-1-ol
PubChem CID123724697
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name2-[(1,3-dimethyl-4,5-diphenylimidazolidin-2-ylidene)amino]propan-1-ol
SMILESCC(CO)N=C1N(C)C(c2ccccc2)C(c2ccccc2)N1C
InChIInChI=1S/C20H25N3O/c1-15(14-24)21-20-22(2)18(16-10-6-4-7-11-16)19(23(20)3)17-12-8-5-9-13-17/h4-13,15,18-19,24H,14H2,1-3H3
InChIKeyLZFVQTXUZNHEOE-UHFFFAOYSA-N
XLogP3.08
TPSA39.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(1,3-dimethyl-4,5-diphenylimidazolidin-2-ylidene)azanide
CID 162358368
1,4-bis[(4S,5S)-1,3-dimethyl-4,5-diphenylimidazolidin-2-ylidene]piperazine-1,4-diium
CID 162416394
(2R,3R,5R,6R)-1,3,5-trimethyl-2,6-diphenyl-4-propylpiperidin-4-ol
CID 124823280
[(4R,5R)-3-methyl-4-phenyl-1,3-oxazolidin-5-yl]methanol
CID 101352281
bis(2-phenyloxirane);2-phenylpropan-1-ol
CID 161299790
2-[(1S,2S)-2-phenylcyclopropyl]propan-1-ol
CID 130128748
(4S,5S)-1-[(2S)-3,3-dimethoxy-2-methylpropanoyl]-3-methyl-4,5-diphenylimidazolidin-2-one
CID 139725454
(2R,3S,5S,6S)-4-benzyl-1,3,5-trimethyl-2,6-diphenylpiperidin-4-ol
CID 7358357
1,3-dimethyl-N-(4-phenylbutan-2-yl)imidazolidin-2-imine
CID 11149262
(2S,3S,5R,6R)-1,3,5-trimethyl-2,6-diphenyl-4-propan-2-ylpiperidin-4-ol
CID 7112212
(1R,2R,4S,5S,6S,8R)-3-methyl-2,4,6,8-tetraphenyl-3-azabicyclo[3.3.1]nonan-9-one
CID 98127168
2-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methyl]-1-propan-2-ylguanidine
CID 110018170

Frequently Asked Questions

What is the IUPAC name of 2-[(1,3-dimethyl-4,5-diphenylimidazolidin-2-ylidene)amino]propan-1-ol?
The IUPAC name of 2-[(1,3-dimethyl-4,5-diphenylimidazolidin-2-ylidene)amino]propan-1-ol (CID 123724697) is 2-[(1,3-dimethyl-4,5-diphenylimidazolidin-2-ylidene)amino]propan-1-ol.
What is the SMILES notation for 2-[(1,3-dimethyl-4,5-diphenylimidazolidin-2-ylidene)amino]propan-1-ol?
The canonical SMILES for 2-[(1,3-dimethyl-4,5-diphenylimidazolidin-2-ylidene)amino]propan-1-ol is CC(CO)N=C1N(C)C(c2ccccc2)C(c2ccccc2)N1C.
What is the InChIKey of 2-[(1,3-dimethyl-4,5-diphenylimidazolidin-2-ylidene)amino]propan-1-ol?
The InChIKey is LZFVQTXUZNHEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-15(14-24)21-20-22(2)18(16-10-6-4-7-11-16)19(23(20)3)17-12-8-5-9-13-17/h4-13,15,18-19,24H,14H2,1-3H3.
What are the key properties of 2-[(1,3-dimethyl-4,5-diphenylimidazolidin-2-ylidene)amino]propan-1-ol?
2-[(1,3-dimethyl-4,5-diphenylimidazolidin-2-ylidene)amino]propan-1-ol has a molecular weight of 323.44 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3-dimethyl-4,5-diphenylimidazolidin-2-ylidene)amino]propan-1-ol is sourced from PubChem (CID 123724697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).