3-[5-(3,4-dichlorophenyl)-2,4-dihydroxyphenyl]-1H-benzimidazol-2-one

C19H12Cl2N2O3 — CID 69442217

IUPAC3-[5-(3,4-dichlorophenyl)-2,4-dihydroxyphenyl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1-c1cc(-c2ccc(Cl)c(Cl)c2)c(O)cc1O
InChIInChI=1S/C19H12Cl2N2O3/c20-12-6-5-10(7-13(12)21)11-8-16(18(25)9-17(11)24)23-15-4-2-1-3-14(15)22-19(23)26/h1-9,24-25H,(H,22,26)
InChIKeyMGVWUXWYKGWMRW-UHFFFAOYSA-N
MW387.22 g/mol
LogP4.70
Rot. Bonds2

About 3-[5-(3,4-dichlorophenyl)-2,4-dihydroxyphenyl]-1H-benzimidazol-2-one

3-[5-(3,4-dichlorophenyl)-2,4-dihydroxyphenyl]-1H-benzimidazol-2-one (PubChem CID 69442217) has the molecular formula C19H12Cl2N2O3 and a molecular weight of 387.22 g/mol. Its IUPAC name is 3-[5-(3,4-dichlorophenyl)-2,4-dihydroxyphenyl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[5-(3,4-dichlorophenyl)-2,4-dihydroxyphenyl]-1H-benzimidazol-2-one
PubChem CID69442217
Molecular FormulaC19H12Cl2N2O3
Molecular Weight387.22 g/mol
Exact Mass386.02
IUPAC Name3-[5-(3,4-dichlorophenyl)-2,4-dihydroxyphenyl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1-c1cc(-c2ccc(Cl)c(Cl)c2)c(O)cc1O
InChIInChI=1S/C19H12Cl2N2O3/c20-12-6-5-10(7-13(12)21)11-8-16(18(25)9-17(11)24)23-15-4-2-1-3-14(15)22-19(23)26/h1-9,24-25H,(H,22,26)
InChIKeyMGVWUXWYKGWMRW-UHFFFAOYSA-N
XLogP4.70
TPSA78.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.22
LogP ≤ 54.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(3,4-dichlorophenyl)-2,4-dihydroxyphenyl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[5-(3,4-dichlorophenyl)-2,4-dihydroxyphenyl]-1H-benzimidazol-2-one (CID 69442217) is 3-[5-(3,4-dichlorophenyl)-2,4-dihydroxyphenyl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[5-(3,4-dichlorophenyl)-2,4-dihydroxyphenyl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[5-(3,4-dichlorophenyl)-2,4-dihydroxyphenyl]-1H-benzimidazol-2-one is O=c1[nH]c2ccccc2n1-c1cc(-c2ccc(Cl)c(Cl)c2)c(O)cc1O.
What is the InChIKey of 3-[5-(3,4-dichlorophenyl)-2,4-dihydroxyphenyl]-1H-benzimidazol-2-one?
The InChIKey is MGVWUXWYKGWMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2N2O3/c20-12-6-5-10(7-13(12)21)11-8-16(18(25)9-17(11)24)23-15-4-2-1-3-14(15)22-19(23)26/h1-9,24-25H,(H,22,26).
What are the key properties of 3-[5-(3,4-dichlorophenyl)-2,4-dihydroxyphenyl]-1H-benzimidazol-2-one?
3-[5-(3,4-dichlorophenyl)-2,4-dihydroxyphenyl]-1H-benzimidazol-2-one has a molecular weight of 387.22 g/mol, XLogP of 4.70, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3,4-dichlorophenyl)-2,4-dihydroxyphenyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 69442217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).