1,3-bis[(5-chloro-2-hydroxyphenyl)methyl]imidazolidin-2-one

C17H16Cl2N2O3 — CID 23940858

IUPAC1,3-bis[(5-chloro-2-hydroxyphenyl)methyl]imidazolidin-2-one
SMILESO=C1N(Cc2cc(Cl)ccc2O)CCN1Cc1cc(Cl)ccc1O
InChIInChI=1S/C17H16Cl2N2O3/c18-13-1-3-15(22)11(7-13)9-20-5-6-21(17(20)24)10-12-8-14(19)2-4-16(12)23/h1-4,7-8,22-23H,5-6,9-10H2
InChIKeyHIMVMLAPVDODOU-UHFFFAOYSA-N
MW367.23 g/mol
LogP3.84
Rot. Bonds4

About 1,3-bis[(5-chloro-2-hydroxyphenyl)methyl]imidazolidin-2-one

1,3-bis[(5-chloro-2-hydroxyphenyl)methyl]imidazolidin-2-one (PubChem CID 23940858) has the molecular formula C17H16Cl2N2O3 and a molecular weight of 367.23 g/mol. Its IUPAC name is 1,3-bis[(5-chloro-2-hydroxyphenyl)methyl]imidazolidin-2-one.

Molecular Properties

Compound Name1,3-bis[(5-chloro-2-hydroxyphenyl)methyl]imidazolidin-2-one
PubChem CID23940858
Molecular FormulaC17H16Cl2N2O3
Molecular Weight367.23 g/mol
Exact Mass366.05
IUPAC Name1,3-bis[(5-chloro-2-hydroxyphenyl)methyl]imidazolidin-2-one
SMILESO=C1N(Cc2cc(Cl)ccc2O)CCN1Cc1cc(Cl)ccc1O
InChIInChI=1S/C17H16Cl2N2O3/c18-13-1-3-15(22)11(7-13)9-20-5-6-21(17(20)24)10-12-8-14(19)2-4-16(12)23/h1-4,7-8,22-23H,5-6,9-10H2
InChIKeyHIMVMLAPVDODOU-UHFFFAOYSA-N
XLogP3.84
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.23
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-[[3-[(5-chloro-2-hydroxyphenyl)methyl]-1,3-diazinan-1-yl]methyl]phenol
CID 71536047
4-chloro-2-(piperidin-1-ylmethyl)phenol;hydrochloride
CID 15576412
1-[(5-chloro-2-hydroxyphenyl)methyl]azetidine-3-carboxylic acid
CID 65071786
4-chloro-2-(piperidin-1-ylmethyl)phenol;2,2,2-trifluoroacetic acid
CID 46840090
1-[(2-amino-4-chlorophenyl)methyl]-3-methylimidazolidin-2-one
CID 62490122
4-chloro-2-[(2-ethylpyrrolidin-1-yl)methyl]phenol
CID 82982483
2-(bromomethyl)-4-chlorophenol
CID 67740326
1-[(5-chloro-2-hydroxyphenyl)methyl]-5-methylpyrrole-3-carboxylic acid
CID 58832814
4-chloro-2-[(3,5-dimethylpiperazin-1-yl)methyl]phenol
CID 63862971
(2R,4S)-1-[(5-chloro-2-hydroxyphenyl)methyl]-4-hydroxypiperidine-2-carboxylic acid
CID 50955470
4-chloro-2-[(3-phenylpyrrolidin-1-yl)methyl]phenol
CID 82985685
2-[(4-amino-3-methylpiperidin-1-yl)methyl]-4-chlorophenol
CID 79879742

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[(5-chloro-2-hydroxyphenyl)methyl]imidazolidin-2-one?
The IUPAC name of 1,3-bis[(5-chloro-2-hydroxyphenyl)methyl]imidazolidin-2-one (CID 23940858) is 1,3-bis[(5-chloro-2-hydroxyphenyl)methyl]imidazolidin-2-one.
What is the SMILES notation for 1,3-bis[(5-chloro-2-hydroxyphenyl)methyl]imidazolidin-2-one?
The canonical SMILES for 1,3-bis[(5-chloro-2-hydroxyphenyl)methyl]imidazolidin-2-one is O=C1N(Cc2cc(Cl)ccc2O)CCN1Cc1cc(Cl)ccc1O.
What is the InChIKey of 1,3-bis[(5-chloro-2-hydroxyphenyl)methyl]imidazolidin-2-one?
The InChIKey is HIMVMLAPVDODOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O3/c18-13-1-3-15(22)11(7-13)9-20-5-6-21(17(20)24)10-12-8-14(19)2-4-16(12)23/h1-4,7-8,22-23H,5-6,9-10H2.
What are the key properties of 1,3-bis[(5-chloro-2-hydroxyphenyl)methyl]imidazolidin-2-one?
1,3-bis[(5-chloro-2-hydroxyphenyl)methyl]imidazolidin-2-one has a molecular weight of 367.23 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[(5-chloro-2-hydroxyphenyl)methyl]imidazolidin-2-one is sourced from PubChem (CID 23940858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).