4-[(2,5-dichlorophenyl)-hydroxymethyl]-1,3-dihydroimidazol-2-one

C10H8Cl2N2O2 — CID 54120453

IUPAC4-[(2,5-dichlorophenyl)-hydroxymethyl]-1,3-dihydroimidazol-2-one
SMILESO=c1[nH]cc(C(O)c2cc(Cl)ccc2Cl)[nH]1
InChIInChI=1S/C10H8Cl2N2O2/c11-5-1-2-7(12)6(3-5)9(15)8-4-13-10(16)14-8/h1-4,9,15H,(H2,13,14,16)
InChIKeyNNIHMVPWRBNQKS-UHFFFAOYSA-N
MW259.09 g/mol
LogP2.09
Rot. Bonds2

About 4-[(2,5-dichlorophenyl)-hydroxymethyl]-1,3-dihydroimidazol-2-one

4-[(2,5-dichlorophenyl)-hydroxymethyl]-1,3-dihydroimidazol-2-one (PubChem CID 54120453) has the molecular formula C10H8Cl2N2O2 and a molecular weight of 259.09 g/mol. Its IUPAC name is 4-[(2,5-dichlorophenyl)-hydroxymethyl]-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-[(2,5-dichlorophenyl)-hydroxymethyl]-1,3-dihydroimidazol-2-one
PubChem CID54120453
Molecular FormulaC10H8Cl2N2O2
Molecular Weight259.09 g/mol
Exact Mass258.00
IUPAC Name4-[(2,5-dichlorophenyl)-hydroxymethyl]-1,3-dihydroimidazol-2-one
SMILESO=c1[nH]cc(C(O)c2cc(Cl)ccc2Cl)[nH]1
InChIInChI=1S/C10H8Cl2N2O2/c11-5-1-2-7(12)6(3-5)9(15)8-4-13-10(16)14-8/h1-4,9,15H,(H2,13,14,16)
InChIKeyNNIHMVPWRBNQKS-UHFFFAOYSA-N
XLogP2.09
TPSA68.88 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.09
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dichlorophenyl)-hydroxymethyl]-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-[(2,5-dichlorophenyl)-hydroxymethyl]-1,3-dihydroimidazol-2-one (CID 54120453) is 4-[(2,5-dichlorophenyl)-hydroxymethyl]-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-[(2,5-dichlorophenyl)-hydroxymethyl]-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-[(2,5-dichlorophenyl)-hydroxymethyl]-1,3-dihydroimidazol-2-one is O=c1[nH]cc(C(O)c2cc(Cl)ccc2Cl)[nH]1.
What is the InChIKey of 4-[(2,5-dichlorophenyl)-hydroxymethyl]-1,3-dihydroimidazol-2-one?
The InChIKey is NNIHMVPWRBNQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2O2/c11-5-1-2-7(12)6(3-5)9(15)8-4-13-10(16)14-8/h1-4,9,15H,(H2,13,14,16).
What are the key properties of 4-[(2,5-dichlorophenyl)-hydroxymethyl]-1,3-dihydroimidazol-2-one?
4-[(2,5-dichlorophenyl)-hydroxymethyl]-1,3-dihydroimidazol-2-one has a molecular weight of 259.09 g/mol, XLogP of 2.09, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dichlorophenyl)-hydroxymethyl]-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 54120453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).