1-benzyl-3-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)urea

C23H22N4O3 — CID 50797574

IUPAC1-benzyl-3-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)urea
SMILESCn1c(=O)n(C)c2cc(Oc3ccccc3)c(NC(=O)NCc3ccccc3)cc21
InChIInChI=1S/C23H22N4O3/c1-26-19-13-18(25-22(28)24-15-16-9-5-3-6-10-16)21(14-20(19)27(2)23(26)29)30-17-11-7-4-8-12-17/h3-14H,15H2,1-2H3,(H2,24,25,28)
InChIKeyQGXFVLOCCWSMLP-UHFFFAOYSA-N
MW402.45 g/mol
LogP3.99
Rot. Bonds5

About 1-benzyl-3-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)urea

1-benzyl-3-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)urea (PubChem CID 50797574) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is 1-benzyl-3-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)urea.

Molecular Properties

Compound Name1-benzyl-3-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)urea
PubChem CID50797574
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC Name1-benzyl-3-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)urea
SMILESCn1c(=O)n(C)c2cc(Oc3ccccc3)c(NC(=O)NCc3ccccc3)cc21
InChIInChI=1S/C23H22N4O3/c1-26-19-13-18(25-22(28)24-15-16-9-5-3-6-10-16)21(14-20(19)27(2)23(26)29)30-17-11-7-4-8-12-17/h3-14H,15H2,1-2H3,(H2,24,25,28)
InChIKeyQGXFVLOCCWSMLP-UHFFFAOYSA-N
XLogP3.99
TPSA77.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-acetylphenyl)-3-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)urea
CID 50797454
1-(5-chloro-2-methylphenyl)-3-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)urea
CID 50797513
1-(4-bromo-3-methylphenyl)-3-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)urea
CID 50797464
1-benzyl-3-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)urea
CID 50791903
1-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 50797457
N-(1,4-dimethyl-2,3-dioxo-7-phenoxyquinoxalin-6-yl)-3-methylbenzamide
CID 50793143
1-[(3,4-dimethoxyphenyl)methyl]-3-(2-phenoxyphenyl)urea
CID 52593579
1-benzyl-3-(2-methoxy-5-methylphenyl)urea
CID 4694869
N-(1,4-dimethyl-2,3-dioxo-7-phenoxyquinoxalin-6-yl)-2-fluorobenzamide
CID 50793144
1-(5-amino-2-methoxyphenyl)-3-benzylurea
CID 107652897
1-benzyl-3-(5-fluoro-2-methoxyphenyl)urea
CID 110774465
1-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-3-[(4-methylphenyl)methyl]urea
CID 22433853

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)urea?
The IUPAC name of 1-benzyl-3-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)urea (CID 50797574) is 1-benzyl-3-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)urea.
What is the SMILES notation for 1-benzyl-3-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)urea?
The canonical SMILES for 1-benzyl-3-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)urea is Cn1c(=O)n(C)c2cc(Oc3ccccc3)c(NC(=O)NCc3ccccc3)cc21.
What is the InChIKey of 1-benzyl-3-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)urea?
The InChIKey is QGXFVLOCCWSMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c1-26-19-13-18(25-22(28)24-15-16-9-5-3-6-10-16)21(14-20(19)27(2)23(26)29)30-17-11-7-4-8-12-17/h3-14H,15H2,1-2H3,(H2,24,25,28).
What are the key properties of 1-benzyl-3-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)urea?
1-benzyl-3-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)urea has a molecular weight of 402.45 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)urea is sourced from PubChem (CID 50797574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).