1-(3-iodophenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea

C14H11IN4O2 — CID 48742366

IUPAC1-(3-iodophenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea
SMILESO=C(Nc1cccc(I)c1)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C14H11IN4O2/c15-8-2-1-3-9(6-8)16-13(20)17-10-4-5-11-12(7-10)19-14(21)18-11/h1-7H,(H2,16,17,20)(H2,18,19,21)
InChIKeySKDCMZSSFDDGKZ-UHFFFAOYSA-N
MW394.17 g/mol
LogP3.10
Rot. Bonds2

About 1-(3-iodophenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea

1-(3-iodophenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea (PubChem CID 48742366) has the molecular formula C14H11IN4O2 and a molecular weight of 394.17 g/mol. Its IUPAC name is 1-(3-iodophenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea.

Molecular Properties

Compound Name1-(3-iodophenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea
PubChem CID48742366
Molecular FormulaC14H11IN4O2
Molecular Weight394.17 g/mol
Exact Mass393.99
IUPAC Name1-(3-iodophenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea
SMILESO=C(Nc1cccc(I)c1)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C14H11IN4O2/c15-8-2-1-3-9(6-8)16-13(20)17-10-4-5-11-12(7-10)19-14(21)18-11/h1-7H,(H2,16,17,20)(H2,18,19,21)
InChIKeySKDCMZSSFDDGKZ-UHFFFAOYSA-N
XLogP3.10
TPSA89.78 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.17
LogP ≤ 53.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-naphthalen-2-yl-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea
CID 48746862
1-amino-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea
CID 115192410
1-(3,5-dichlorophenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea
CID 48743188
2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,3-dihydrobenzimidazole-5-carboxamide
CID 59347105
5-(1-anilinoethenylamino)-1,3-dihydrobenzimidazol-2-one
CID 155113901
3-[(3-iodophenyl)carbamoylamino]benzoic acid
CID 61193019
2,2-difluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 103605142
methyl 2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]acetate
CID 115142201
3-(2,2-dimethylpropanoylamino)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 134057140
2-bromo-5-[(3-iodophenyl)carbamoylamino]benzoic acid
CID 115296659
1-(3-iodophenyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 61400274
phenyl N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamate
CID 10236287

Frequently Asked Questions

What is the IUPAC name of 1-(3-iodophenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea?
The IUPAC name of 1-(3-iodophenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea (CID 48742366) is 1-(3-iodophenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea.
What is the SMILES notation for 1-(3-iodophenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea?
The canonical SMILES for 1-(3-iodophenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea is O=C(Nc1cccc(I)c1)Nc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 1-(3-iodophenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea?
The InChIKey is SKDCMZSSFDDGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11IN4O2/c15-8-2-1-3-9(6-8)16-13(20)17-10-4-5-11-12(7-10)19-14(21)18-11/h1-7H,(H2,16,17,20)(H2,18,19,21).
What are the key properties of 1-(3-iodophenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea?
1-(3-iodophenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea has a molecular weight of 394.17 g/mol, XLogP of 3.10, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-iodophenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea is sourced from PubChem (CID 48742366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).