5-[hydroxy-(4-iodophenyl)methyl]-1,3-dihydrobenzimidazol-2-one

C14H11IN2O2 — CID 61088445

IUPAC5-[hydroxy-(4-iodophenyl)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(C(O)c3ccc(I)cc3)cc2[nH]1
InChIInChI=1S/C14H11IN2O2/c15-10-4-1-8(2-5-10)13(18)9-3-6-11-12(7-9)17-14(19)16-11/h1-7,13,18H,(H2,16,17,19)
InChIKeyLLVGHKGMHFVHED-UHFFFAOYSA-N
MW366.16 g/mol
LogP2.54
Rot. Bonds2

About 5-[hydroxy-(4-iodophenyl)methyl]-1,3-dihydrobenzimidazol-2-one

5-[hydroxy-(4-iodophenyl)methyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 61088445) has the molecular formula C14H11IN2O2 and a molecular weight of 366.16 g/mol. Its IUPAC name is 5-[hydroxy-(4-iodophenyl)methyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[hydroxy-(4-iodophenyl)methyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID61088445
Molecular FormulaC14H11IN2O2
Molecular Weight366.16 g/mol
Exact Mass365.99
IUPAC Name5-[hydroxy-(4-iodophenyl)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(C(O)c3ccc(I)cc3)cc2[nH]1
InChIInChI=1S/C14H11IN2O2/c15-10-4-1-8(2-5-10)13(18)9-3-6-11-12(7-9)17-14(19)16-11/h1-7,13,18H,(H2,16,17,19)
InChIKeyLLVGHKGMHFVHED-UHFFFAOYSA-N
XLogP2.54
TPSA68.88 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.16
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-[hydroxy-(4-iodophenyl)methyl]-1,3-dihydrobenzimidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(3-fluoro-4-methylphenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one
CID 61086954
5-[1-(4-iodoanilino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43124298
5-(2,2-difluoro-1-hydroxyethyl)-1,3-dihydrobenzimidazol-2-one
CID 104632705
5-(1-hydroxy-2-sulfanylethyl)-1,3-dihydrobenzimidazol-2-one
CID 116830041
5-(diaminomethyl)-1,3-dihydrobenzimidazol-2-one
CID 116939209
5-[(2-bromo-3-methylphenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one
CID 107983320
5-(1-chloroethyl)-1,3-dihydrobenzimidazol-2-one
CID 61083756
5-(1-hydroxypropan-2-yl)-1,3-dihydrobenzimidazol-2-one
CID 117283003
5-(1-amino-2-hydroxyethyl)-1,3-dihydrobenzimidazol-2-one
CID 83530993
5-[1-(propan-2-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43200626
5-(1-bromo-2-oxopropyl)-1,3-dihydrobenzimidazol-2-one
CID 116859823
5-[(1-aminocyclopropyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one
CID 116836212

Frequently Asked Questions

What is the IUPAC name of 5-[hydroxy-(4-iodophenyl)methyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[hydroxy-(4-iodophenyl)methyl]-1,3-dihydrobenzimidazol-2-one (CID 61088445) is 5-[hydroxy-(4-iodophenyl)methyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[hydroxy-(4-iodophenyl)methyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[hydroxy-(4-iodophenyl)methyl]-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2ccc(C(O)c3ccc(I)cc3)cc2[nH]1.
What is the InChIKey of 5-[hydroxy-(4-iodophenyl)methyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is LLVGHKGMHFVHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11IN2O2/c15-10-4-1-8(2-5-10)13(18)9-3-6-11-12(7-9)17-14(19)16-11/h1-7,13,18H,(H2,16,17,19).
What are the key properties of 5-[hydroxy-(4-iodophenyl)methyl]-1,3-dihydrobenzimidazol-2-one?
5-[hydroxy-(4-iodophenyl)methyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 366.16 g/mol, XLogP of 2.54, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[hydroxy-(4-iodophenyl)methyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 61088445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).