1-(3H-benzimidazol-5-yl)-3-(4-hydroxyphenyl)urea

C14H12N4O2 — CID 108885789

IUPAC1-(3H-benzimidazol-5-yl)-3-(4-hydroxyphenyl)urea
SMILESO=C(Nc1ccc(O)cc1)Nc1ccc2nc[nH]c2c1
InChIInChI=1S/C14H12N4O2/c19-11-4-1-9(2-5-11)17-14(20)18-10-3-6-12-13(7-10)16-8-15-12/h1-8,19H,(H,15,16)(H2,17,18,20)
InChIKeyKYSROHATCKZEML-UHFFFAOYSA-N
MW268.28 g/mol
LogP2.91
Rot. Bonds2

About 1-(3H-benzimidazol-5-yl)-3-(4-hydroxyphenyl)urea

1-(3H-benzimidazol-5-yl)-3-(4-hydroxyphenyl)urea (PubChem CID 108885789) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 1-(3H-benzimidazol-5-yl)-3-(4-hydroxyphenyl)urea.

Molecular Properties

Compound Name1-(3H-benzimidazol-5-yl)-3-(4-hydroxyphenyl)urea
PubChem CID108885789
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC Name1-(3H-benzimidazol-5-yl)-3-(4-hydroxyphenyl)urea
SMILESO=C(Nc1ccc(O)cc1)Nc1ccc2nc[nH]c2c1
InChIInChI=1S/C14H12N4O2/c19-11-4-1-9(2-5-11)17-14(20)18-10-3-6-12-13(7-10)16-8-15-12/h1-8,19H,(H,15,16)(H2,17,18,20)
InChIKeyKYSROHATCKZEML-UHFFFAOYSA-N
XLogP2.91
TPSA90.04 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 52.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3H-benzimidazol-5-yl)-3-(4-iodophenyl)urea
CID 108886002
1-amino-3-(3H-benzimidazol-5-yl)urea
CID 115192411
N-(4-hydroxyphenyl)-3H-benzimidazole-5-carboxamide
CID 28739583
1-(3H-benzimidazol-5-yl)-3-(2,4-difluorophenyl)urea
CID 108886039
N-(3H-benzimidazol-5-yl)carbamoyl chloride
CID 115194411
3H-benzimidazol-5-ylcarbamothioic S-acid
CID 115169734
1-(3H-benzimidazol-5-yl)-3-(1H-indazol-6-yl)urea
CID 108885965
1-(3H-benzimidazol-5-yl)-3-(3-chloro-4-fluorophenyl)urea
CID 108885972
1-(3H-benzimidazol-5-yl)-3-(2,6-dimethylphenyl)urea
CID 108886016
methyl 3-(3H-benzimidazol-5-ylcarbamoylamino)benzoate
CID 108886048
1-(3H-benzimidazol-5-yl)-3-(3-methoxyphenyl)urea
CID 108869161
1-(3H-benzimidazol-5-yl)-3-(5-methyl-2-pyridinyl)urea
CID 108886074

Frequently Asked Questions

What is the IUPAC name of 1-(3H-benzimidazol-5-yl)-3-(4-hydroxyphenyl)urea?
The IUPAC name of 1-(3H-benzimidazol-5-yl)-3-(4-hydroxyphenyl)urea (CID 108885789) is 1-(3H-benzimidazol-5-yl)-3-(4-hydroxyphenyl)urea.
What is the SMILES notation for 1-(3H-benzimidazol-5-yl)-3-(4-hydroxyphenyl)urea?
The canonical SMILES for 1-(3H-benzimidazol-5-yl)-3-(4-hydroxyphenyl)urea is O=C(Nc1ccc(O)cc1)Nc1ccc2nc[nH]c2c1.
What is the InChIKey of 1-(3H-benzimidazol-5-yl)-3-(4-hydroxyphenyl)urea?
The InChIKey is KYSROHATCKZEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c19-11-4-1-9(2-5-11)17-14(20)18-10-3-6-12-13(7-10)16-8-15-12/h1-8,19H,(H,15,16)(H2,17,18,20).
What are the key properties of 1-(3H-benzimidazol-5-yl)-3-(4-hydroxyphenyl)urea?
1-(3H-benzimidazol-5-yl)-3-(4-hydroxyphenyl)urea has a molecular weight of 268.28 g/mol, XLogP of 2.91, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3H-benzimidazol-5-yl)-3-(4-hydroxyphenyl)urea is sourced from PubChem (CID 108885789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).