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

C14H10Cl2N4O2 — CID 48743188

IUPAC1-(3,5-dichlorophenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C14H10Cl2N4O2/c15-7-3-8(16)5-10(4-7)18-13(21)17-9-1-2-11-12(6-9)20-14(22)19-11/h1-6H,(H2,17,18,21)(H2,19,20,22)
InChIKeyWMTWMWFRPHURMN-UHFFFAOYSA-N
MW337.17 g/mol
LogP3.81
Rot. Bonds2

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

1-(3,5-dichlorophenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea (PubChem CID 48743188) has the molecular formula C14H10Cl2N4O2 and a molecular weight of 337.17 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea
PubChem CID48743188
Molecular FormulaC14H10Cl2N4O2
Molecular Weight337.17 g/mol
Exact Mass336.02
IUPAC Name1-(3,5-dichlorophenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C14H10Cl2N4O2/c15-7-3-8(16)5-10(4-7)18-13(21)17-9-1-2-11-12(6-9)20-14(22)19-11/h1-6H,(H2,17,18,21)(H2,19,20,22)
InChIKeyWMTWMWFRPHURMN-UHFFFAOYSA-N
XLogP3.81
TPSA89.78 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.17
LogP ≤ 53.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea
CID 115192410
1-naphthalen-2-yl-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea
CID 48746862
1-(3-iodophenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea
CID 48742366
2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,3-dihydrobenzimidazole-5-carboxamide
CID 59347105
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
2-(2,6-dichlorophenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 18103957
6-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyridine-2-carboxamide
CID 32544873
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyridine-4-carboxamide
CID 26663415
3,6-dichloro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-benzothiophene-2-carboxamide
CID 2032151
2-(3-chloro-4-fluorophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 112778728
(2S)-2-(2,5-dichlorophenyl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 8736548

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea?
The IUPAC name of 1-(3,5-dichlorophenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea (CID 48743188) is 1-(3,5-dichlorophenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea?
The canonical SMILES for 1-(3,5-dichlorophenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea is O=C(Nc1cc(Cl)cc(Cl)c1)Nc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea?
The InChIKey is WMTWMWFRPHURMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N4O2/c15-7-3-8(16)5-10(4-7)18-13(21)17-9-1-2-11-12(6-9)20-14(22)19-11/h1-6H,(H2,17,18,21)(H2,19,20,22).
What are the key properties of 1-(3,5-dichlorophenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea?
1-(3,5-dichlorophenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea has a molecular weight of 337.17 g/mol, XLogP of 3.81, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea is sourced from PubChem (CID 48743188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).