2-[1,3-bis(3-methylphenyl)imidazolidin-2-yl]phenol

C23H24N2O — CID 56698595

IUPAC2-[1,3-bis(3-methylphenyl)imidazolidin-2-yl]phenol
SMILESCc1cccc(N2CCN(c3cccc(C)c3)C2c2ccccc2O)c1
InChIInChI=1S/C23H24N2O/c1-17-7-5-9-19(15-17)24-13-14-25(20-10-6-8-18(2)16-20)23(24)21-11-3-4-12-22(21)26/h3-12,15-16,23,26H,13-14H2,1-2H3
InChIKeyUHUCLZJJFWPFEV-UHFFFAOYSA-N
MW344.46 g/mol
LogP5.03
Rot. Bonds3

About 2-[1,3-bis(3-methylphenyl)imidazolidin-2-yl]phenol

2-[1,3-bis(3-methylphenyl)imidazolidin-2-yl]phenol (PubChem CID 56698595) has the molecular formula C23H24N2O and a molecular weight of 344.46 g/mol. Its IUPAC name is 2-[1,3-bis(3-methylphenyl)imidazolidin-2-yl]phenol.

Molecular Properties

Compound Name2-[1,3-bis(3-methylphenyl)imidazolidin-2-yl]phenol
PubChem CID56698595
Molecular FormulaC23H24N2O
Molecular Weight344.46 g/mol
Exact Mass344.19
IUPAC Name2-[1,3-bis(3-methylphenyl)imidazolidin-2-yl]phenol
SMILESCc1cccc(N2CCN(c3cccc(C)c3)C2c2ccccc2O)c1
InChIInChI=1S/C23H24N2O/c1-17-7-5-9-19(15-17)24-13-14-25(20-10-6-8-18(2)16-20)23(24)21-11-3-4-12-22(21)26/h3-12,15-16,23,26H,13-14H2,1-2H3
InChIKeyUHUCLZJJFWPFEV-UHFFFAOYSA-N
XLogP5.03
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.46
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-(3-methylphenyl)-1,3-diphenylimidazolidine
CID 614021
4-(2-bromophenyl)-1-(3-methylphenyl)piperidine
CID 84608920
1-[3-chloro-4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 123785667
(1S,5R)-2-methyl-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexane
CID 142421916
1-(3-methylphenyl)pyrrolidine-2-carboxamide
CID 15157503
(2-hydroxyphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanethione
CID 1323719
2-[(2S)-1-(3-methylphenyl)pyrrolidin-2-yl]ethanamine
CID 96618274
4-(benzenesulfonyl)-2-methyl-1-(3-methylphenyl)piperazine
CID 3406889
2-(1,3-diphenylimidazolidin-2-yl)-6-methylpyridine
CID 23882364
(3R,3aS,6aR)-3-(2-hydroxyphenyl)-5-(3-methylphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 7431798
(2R)-1-(1H-indol-3-yl)-2-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 98361909
5,18-dimethyl-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-14-ol
CID 20536376

Frequently Asked Questions

What is the IUPAC name of 2-[1,3-bis(3-methylphenyl)imidazolidin-2-yl]phenol?
The IUPAC name of 2-[1,3-bis(3-methylphenyl)imidazolidin-2-yl]phenol (CID 56698595) is 2-[1,3-bis(3-methylphenyl)imidazolidin-2-yl]phenol.
What is the SMILES notation for 2-[1,3-bis(3-methylphenyl)imidazolidin-2-yl]phenol?
The canonical SMILES for 2-[1,3-bis(3-methylphenyl)imidazolidin-2-yl]phenol is Cc1cccc(N2CCN(c3cccc(C)c3)C2c2ccccc2O)c1.
What is the InChIKey of 2-[1,3-bis(3-methylphenyl)imidazolidin-2-yl]phenol?
The InChIKey is UHUCLZJJFWPFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O/c1-17-7-5-9-19(15-17)24-13-14-25(20-10-6-8-18(2)16-20)23(24)21-11-3-4-12-22(21)26/h3-12,15-16,23,26H,13-14H2,1-2H3.
What are the key properties of 2-[1,3-bis(3-methylphenyl)imidazolidin-2-yl]phenol?
2-[1,3-bis(3-methylphenyl)imidazolidin-2-yl]phenol has a molecular weight of 344.46 g/mol, XLogP of 5.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,3-bis(3-methylphenyl)imidazolidin-2-yl]phenol is sourced from PubChem (CID 56698595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).