5-[[3-chloro-5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]-1,3-dihydrobenzimidazol-2-one

C21H15Cl2N3O2 — CID 3367864

IUPAC5-[[3-chloro-5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(/N=C/c3cc(Cc4ccccc4Cl)cc(Cl)c3O)cc2[nH]1
InChIInChI=1S/C21H15Cl2N3O2/c22-16-4-2-1-3-13(16)7-12-8-14(20(27)17(23)9-12)11-24-15-5-6-18-19(10-15)26-21(28)25-18/h1-6,8-11,27H,7H2,(H2,25,26,28)/b24-11+
InChIKeyMHKIWANVKPWFME-BHGWPJFGSA-N
MW412.28 g/mol
LogP5.21
Rot. Bonds4

About 5-[[3-chloro-5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]-1,3-dihydrobenzimidazol-2-one

5-[[3-chloro-5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]-1,3-dihydrobenzimidazol-2-one (PubChem CID 3367864) has the molecular formula C21H15Cl2N3O2 and a molecular weight of 412.28 g/mol. Its IUPAC name is 5-[[3-chloro-5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[[3-chloro-5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]-1,3-dihydrobenzimidazol-2-one
PubChem CID3367864
Molecular FormulaC21H15Cl2N3O2
Molecular Weight412.28 g/mol
Exact Mass411.05
IUPAC Name5-[[3-chloro-5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(/N=C/c3cc(Cc4ccccc4Cl)cc(Cl)c3O)cc2[nH]1
InChIInChI=1S/C21H15Cl2N3O2/c22-16-4-2-1-3-13(16)7-12-8-14(20(27)17(23)9-12)11-24-15-5-6-18-19(10-15)26-21(28)25-18/h1-6,8-11,27H,7H2,(H2,25,26,28)/b24-11+
InChIKeyMHKIWANVKPWFME-BHGWPJFGSA-N
XLogP5.21
TPSA81.24 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.28
LogP ≤ 55.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-1,3-dihydrobenzimidazol-2-one
CID 4084219
5-[(2-hydroxy-5-iodo-3-methylphenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one
CID 4056938
N-[4-[[3-bromo-5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]phenyl]propanamide
CID 4160765
5-[(2-hydroxy-4-methylphenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one
CID 4516447
5-[(2-chloro-5-nitrophenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one
CID 3100348
methyl 2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)iminomethyl]benzoate
CID 708446
5-[2-(2-chlorophenyl)acetyl]-1,3-dihydrobenzimidazol-2-one
CID 43338651
N-[3-[[3-bromo-5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]phenyl]furan-2-carboxamide
CID 5130558
N-[3-[[3-bromo-5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]phenyl]-2,4-dichlorobenzamide
CID 135901021
5-[(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one
CID 3291118
2-[[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]iminomethyl]-6-bromo-4-[(2-chlorophenyl)methyl]phenol
CID 135573868
N-[4-[[3-bromo-5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide
CID 4063917

Frequently Asked Questions

What is the IUPAC name of 5-[[3-chloro-5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[[3-chloro-5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]-1,3-dihydrobenzimidazol-2-one (CID 3367864) is 5-[[3-chloro-5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[[3-chloro-5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[[3-chloro-5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2ccc(/N=C/c3cc(Cc4ccccc4Cl)cc(Cl)c3O)cc2[nH]1.
What is the InChIKey of 5-[[3-chloro-5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is MHKIWANVKPWFME-BHGWPJFGSA-N. The full InChI is InChI=1S/C21H15Cl2N3O2/c22-16-4-2-1-3-13(16)7-12-8-14(20(27)17(23)9-12)11-24-15-5-6-18-19(10-15)26-21(28)25-18/h1-6,8-11,27H,7H2,(H2,25,26,28)/b24-11+.
What are the key properties of 5-[[3-chloro-5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]-1,3-dihydrobenzimidazol-2-one?
5-[[3-chloro-5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 412.28 g/mol, XLogP of 5.21, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-chloro-5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 3367864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).