1-(3H-benzimidazol-5-yl)-4-benzylimino-5-(4-chlorophenyl)imidazolidin-2-one

C23H18ClN5O — CID 135923017

IUPAC1-(3H-benzimidazol-5-yl)-4-benzylimino-5-(4-chlorophenyl)imidazolidin-2-one
SMILESO=C1N/C(=N\Cc2ccccc2)C(c2ccc(Cl)cc2)N1c1ccc2nc[nH]c2c1
InChIInChI=1S/C23H18ClN5O/c24-17-8-6-16(7-9-17)21-22(25-13-15-4-2-1-3-5-15)28-23(30)29(21)18-10-11-19-20(12-18)27-14-26-19/h1-12,14,21H,13H2,(H,26,27)(H,25,28,30)
InChIKeyVDZJZORJMVNWBV-UHFFFAOYSA-N
MW415.88 g/mol
LogP5.09
Rot. Bonds4

About 1-(3H-benzimidazol-5-yl)-4-benzylimino-5-(4-chlorophenyl)imidazolidin-2-one

1-(3H-benzimidazol-5-yl)-4-benzylimino-5-(4-chlorophenyl)imidazolidin-2-one (PubChem CID 135923017) has the molecular formula C23H18ClN5O and a molecular weight of 415.88 g/mol. Its IUPAC name is 1-(3H-benzimidazol-5-yl)-4-benzylimino-5-(4-chlorophenyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(3H-benzimidazol-5-yl)-4-benzylimino-5-(4-chlorophenyl)imidazolidin-2-one
PubChem CID135923017
Molecular FormulaC23H18ClN5O
Molecular Weight415.88 g/mol
Exact Mass415.12
IUPAC Name1-(3H-benzimidazol-5-yl)-4-benzylimino-5-(4-chlorophenyl)imidazolidin-2-one
SMILESO=C1N/C(=N\Cc2ccccc2)C(c2ccc(Cl)cc2)N1c1ccc2nc[nH]c2c1
InChIInChI=1S/C23H18ClN5O/c24-17-8-6-16(7-9-17)21-22(25-13-15-4-2-1-3-5-15)28-23(30)29(21)18-10-11-19-20(12-18)27-14-26-19/h1-12,14,21H,13H2,(H,26,27)(H,25,28,30)
InChIKeyVDZJZORJMVNWBV-UHFFFAOYSA-N
XLogP5.09
TPSA73.38 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.88
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3H-benzimidazol-5-yl)-4-(4-chlorophenyl)-1,3-oxazolidin-2-one
CID 67036274
1-(3H-benzimidazol-5-yl)-5-(4-chloro-3-methylphenyl)-4-sulfanylideneimidazolidin-2-one
CID 46181575
(4R)-1-(3H-benzimidazol-5-yl)-4-phenylazetidin-2-one
CID 138503619
3-(3H-benzimidazol-5-yl)-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
CID 67036550
(4S)-3-(3H-benzimidazol-5-yl)-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
CID 51029940
1-(3H-benzimidazol-5-yl)-5-[4-(4-cyclopropyl-1H-pyrrol-2-yl)phenyl]imidazolidine-2,4-dione
CID 146439020
N'-[amino(2,2,2-trifluoroethyl)amino]-4-[3-(3H-benzimidazol-5-yl)-2,5-dioxoimidazolidin-4-yl]benzenecarboximidamide
CID 146440136
1-(3H-benzimidazol-5-yl)-5-[4-(2-cyclopropyl-1H-imidazol-5-yl)phenyl]imidazolidine-2,4-dione
CID 146439000
6-[2-(4-chlorophenyl)pyrrolidin-1-yl]-1H-benzimidazole
CID 51030311
6-[1-(3,4-dichlorophenyl)-3-methylidene-1H-isoindol-2-yl]-1H-benzimidazole
CID 118198676
1-(3H-benzimidazol-5-yl)-5-[3-fluoro-4-[5-(trifluoromethyl)thiophen-2-yl]phenyl]imidazolidine-2,4-dione
CID 146439064
1-(3H-benzimidazol-5-yl)-5-[4-(2-propan-2-yltetrazol-5-yl)phenyl]imidazolidine-2,4-dione
CID 146422657

Frequently Asked Questions

What is the IUPAC name of 1-(3H-benzimidazol-5-yl)-4-benzylimino-5-(4-chlorophenyl)imidazolidin-2-one?
The IUPAC name of 1-(3H-benzimidazol-5-yl)-4-benzylimino-5-(4-chlorophenyl)imidazolidin-2-one (CID 135923017) is 1-(3H-benzimidazol-5-yl)-4-benzylimino-5-(4-chlorophenyl)imidazolidin-2-one.
What is the SMILES notation for 1-(3H-benzimidazol-5-yl)-4-benzylimino-5-(4-chlorophenyl)imidazolidin-2-one?
The canonical SMILES for 1-(3H-benzimidazol-5-yl)-4-benzylimino-5-(4-chlorophenyl)imidazolidin-2-one is O=C1N/C(=N\Cc2ccccc2)C(c2ccc(Cl)cc2)N1c1ccc2nc[nH]c2c1.
What is the InChIKey of 1-(3H-benzimidazol-5-yl)-4-benzylimino-5-(4-chlorophenyl)imidazolidin-2-one?
The InChIKey is VDZJZORJMVNWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN5O/c24-17-8-6-16(7-9-17)21-22(25-13-15-4-2-1-3-5-15)28-23(30)29(21)18-10-11-19-20(12-18)27-14-26-19/h1-12,14,21H,13H2,(H,26,27)(H,25,28,30).
What are the key properties of 1-(3H-benzimidazol-5-yl)-4-benzylimino-5-(4-chlorophenyl)imidazolidin-2-one?
1-(3H-benzimidazol-5-yl)-4-benzylimino-5-(4-chlorophenyl)imidazolidin-2-one has a molecular weight of 415.88 g/mol, XLogP of 5.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3H-benzimidazol-5-yl)-4-benzylimino-5-(4-chlorophenyl)imidazolidin-2-one is sourced from PubChem (CID 135923017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).