(4S)-4,5-diphenylimidazolidine-2-carbaldehyde

C16H16N2O — CID 88594019

IUPAC(4S)-4,5-diphenylimidazolidine-2-carbaldehyde
SMILESO=CC1NC(c2ccccc2)[C@H](c2ccccc2)N1
InChIInChI=1S/C16H16N2O/c19-11-14-17-15(12-7-3-1-4-8-12)16(18-14)13-9-5-2-6-10-13/h1-11,14-18H/t14?,15-,16?/m0/s1
InChIKeyBKDDSAVBMBCATK-PCKAHOCUSA-N
MW252.32 g/mol
LogP2.19
Rot. Bonds3

About (4S)-4,5-diphenylimidazolidine-2-carbaldehyde

(4S)-4,5-diphenylimidazolidine-2-carbaldehyde (PubChem CID 88594019) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is (4S)-4,5-diphenylimidazolidine-2-carbaldehyde.

Molecular Properties

Compound Name(4S)-4,5-diphenylimidazolidine-2-carbaldehyde
PubChem CID88594019
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name(4S)-4,5-diphenylimidazolidine-2-carbaldehyde
SMILESO=CC1NC(c2ccccc2)[C@H](c2ccccc2)N1
InChIInChI=1S/C16H16N2O/c19-11-14-17-15(12-7-3-1-4-8-12)16(18-14)13-9-5-2-6-10-13/h1-11,14-18H/t14?,15-,16?/m0/s1
InChIKeyBKDDSAVBMBCATK-PCKAHOCUSA-N
XLogP2.19
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,5-diphenylpyrazolidine-4-carbaldehyde
CID 73196349
(2R,3R,5S)-5-methyl-2,3-diphenylpiperazine
CID 15696220
(2S,3R)-2-tert-butyl-3-phenylaziridine
CID 164511262
2-phenylpiperidine-3-carbaldehyde
CID 174613861
(3S,4R)-3,4-diphenyl-1,2,5-thiadiazolidine 1,1-dioxide
CID 95561844
dimethyl (2S,3S,4R,5S)-2,5-diphenylpyrrolidine-3,4-dicarboxylate
CID 101203348
(4S,5R)-4-phenyl-2-(tribromomethyl)-1,3-oxazolidine-5-carboxylic acid
CID 141311419
(3S,4S)-3-ethyl-4-phenylazetidin-2-one
CID 7056749
(2R,3S)-3-phenylaziridine-2-carboxamide
CID 23727454
azane;2,3-diphenylaziridine;(1R,2R)-1,2-diphenylethane-1,2-diamine
CID 162212594
(3R,4S)-4-phenylazetidine-2,3-diol
CID 143371351
(2R,3R,6S,7R)-3,6-dimethyl-2,7-diphenyl-1,4-diazepan-5-one
CID 15038927

Frequently Asked Questions

What is the IUPAC name of (4S)-4,5-diphenylimidazolidine-2-carbaldehyde?
The IUPAC name of (4S)-4,5-diphenylimidazolidine-2-carbaldehyde (CID 88594019) is (4S)-4,5-diphenylimidazolidine-2-carbaldehyde.
What is the SMILES notation for (4S)-4,5-diphenylimidazolidine-2-carbaldehyde?
The canonical SMILES for (4S)-4,5-diphenylimidazolidine-2-carbaldehyde is O=CC1NC(c2ccccc2)[C@H](c2ccccc2)N1.
What is the InChIKey of (4S)-4,5-diphenylimidazolidine-2-carbaldehyde?
The InChIKey is BKDDSAVBMBCATK-PCKAHOCUSA-N. The full InChI is InChI=1S/C16H16N2O/c19-11-14-17-15(12-7-3-1-4-8-12)16(18-14)13-9-5-2-6-10-13/h1-11,14-18H/t14?,15-,16?/m0/s1.
What are the key properties of (4S)-4,5-diphenylimidazolidine-2-carbaldehyde?
(4S)-4,5-diphenylimidazolidine-2-carbaldehyde has a molecular weight of 252.32 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4,5-diphenylimidazolidine-2-carbaldehyde is sourced from PubChem (CID 88594019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).