1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-(2-ethylphenyl)urea

C18H20N4O2 — CID 56790026

IUPAC1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-(2-ethylphenyl)urea
SMILESCCc1ccccc1NC(=O)Nc1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C18H20N4O2/c1-4-12-7-5-6-8-14(12)20-17(23)19-13-9-10-15-16(11-13)22(3)18(24)21(15)2/h5-11H,4H2,1-3H3,(H2,19,20,23)
InChIKeyAFUWEXFHVZDXFP-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.08
Rot. Bonds3

About 1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-(2-ethylphenyl)urea

1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-(2-ethylphenyl)urea (PubChem CID 56790026) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-(2-ethylphenyl)urea.

Molecular Properties

Compound Name1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-(2-ethylphenyl)urea
PubChem CID56790026
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-(2-ethylphenyl)urea
SMILESCCc1ccccc1NC(=O)Nc1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C18H20N4O2/c1-4-12-7-5-6-8-14(12)20-17(23)19-13-9-10-15-16(11-13)22(3)18(24)21(15)2/h5-11H,4H2,1-3H3,(H2,19,20,23)
InChIKeyAFUWEXFHVZDXFP-UHFFFAOYSA-N
XLogP3.08
TPSA68.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-[4-(ethylsulfonylamino)-3-methylphenyl]urea
CID 166209374
N-[(2-chlorophenyl)methyl]-N'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)oxamide
CID 49295823
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-(2-methylphenyl)propanamide
CID 110778945
1-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)-3-(2-ethylphenyl)urea
CID 108872274
1-(3,5-dimethylphenyl)-3-(2-ethylphenyl)urea
CID 108991353
1-(2-ethylphenyl)-3-(1H-indol-6-yl)urea
CID 17181458
1-(3-aminophenyl)-3-(2-ethylphenyl)urea
CID 30050716
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-(4-ethylphenyl)propanamide
CID 49170000
1-(3,5-dichlorophenyl)-3-(2-ethylphenyl)urea
CID 108991481
(2R)-2-amino-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanamide;hydrochloride
CID 119309194
(2R)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(2-methoxyphenoxy)butanamide
CID 7443433
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-methyl-2-pyrrol-1-ylpentanamide
CID 121239966

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-(2-ethylphenyl)urea?
The IUPAC name of 1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-(2-ethylphenyl)urea (CID 56790026) is 1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-(2-ethylphenyl)urea.
What is the SMILES notation for 1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-(2-ethylphenyl)urea?
The canonical SMILES for 1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-(2-ethylphenyl)urea is CCc1ccccc1NC(=O)Nc1ccc2c(c1)n(C)c(=O)n2C.
What is the InChIKey of 1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-(2-ethylphenyl)urea?
The InChIKey is AFUWEXFHVZDXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-4-12-7-5-6-8-14(12)20-17(23)19-13-9-10-15-16(11-13)22(3)18(24)21(15)2/h5-11H,4H2,1-3H3,(H2,19,20,23).
What are the key properties of 1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-(2-ethylphenyl)urea?
1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-(2-ethylphenyl)urea has a molecular weight of 324.38 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-(2-ethylphenyl)urea is sourced from PubChem (CID 56790026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).