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

C24H22N4O4 — CID 50797454

IUPAC1-(3-acetylphenyl)-3-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)urea
SMILESCC(=O)c1cccc(NC(=O)Nc2cc3c(cc2Oc2ccccc2)n(C)c(=O)n3C)c1
InChIInChI=1S/C24H22N4O4/c1-15(29)16-8-7-9-17(12-16)25-23(30)26-19-13-20-21(28(3)24(31)27(20)2)14-22(19)32-18-10-5-4-6-11-18/h4-14H,1-3H3,(H2,25,26,30)
InChIKeyIDSRZNCUVJDRHZ-UHFFFAOYSA-N
MW430.46 g/mol
LogP4.52
Rot. Bonds5

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

1-(3-acetylphenyl)-3-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)urea (PubChem CID 50797454) has the molecular formula C24H22N4O4 and a molecular weight of 430.46 g/mol. Its IUPAC name is 1-(3-acetylphenyl)-3-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)urea.

Molecular Properties

Compound Name1-(3-acetylphenyl)-3-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)urea
PubChem CID50797454
Molecular FormulaC24H22N4O4
Molecular Weight430.46 g/mol
Exact Mass430.16
IUPAC Name1-(3-acetylphenyl)-3-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)urea
SMILESCC(=O)c1cccc(NC(=O)Nc2cc3c(cc2Oc2ccccc2)n(C)c(=O)n3C)c1
InChIInChI=1S/C24H22N4O4/c1-15(29)16-8-7-9-17(12-16)25-23(30)26-19-13-20-21(28(3)24(31)27(20)2)14-22(19)32-18-10-5-4-6-11-18/h4-14H,1-3H3,(H2,25,26,30)
InChIKeyIDSRZNCUVJDRHZ-UHFFFAOYSA-N
XLogP4.52
TPSA94.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 50797457
1-(4-bromo-3-methylphenyl)-3-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)urea
CID 50797464
1-benzyl-3-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)urea
CID 50797574
1-(5-chloro-2-methylphenyl)-3-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)urea
CID 50797513
N-(1,4-dimethyl-2,3-dioxo-7-phenoxyquinoxalin-6-yl)-3-methylbenzamide
CID 50793143
4-tert-butyl-N-(1,4-dimethyl-2,3-dioxo-7-phenoxyquinoxalin-6-yl)benzamide
CID 50793171
N-(3-acetylphenyl)-2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide
CID 110772327
1-(3-acetylphenyl)-3-(2-sulfanylphenyl)urea
CID 108886351
N-(1,4-dimethyl-2,3-dioxo-7-phenoxyquinoxalin-6-yl)-2-fluorobenzamide
CID 50793144
3-acetamido-N-(4-phenoxyphenyl)benzamide
CID 24639214
N-(3-acetylphenyl)-4-(4-methoxyphenoxy)benzamide
CID 16651157
1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-(2-ethylphenyl)urea
CID 56790026

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetylphenyl)-3-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)urea?
The IUPAC name of 1-(3-acetylphenyl)-3-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)urea (CID 50797454) is 1-(3-acetylphenyl)-3-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)urea.
What is the SMILES notation for 1-(3-acetylphenyl)-3-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)urea?
The canonical SMILES for 1-(3-acetylphenyl)-3-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)urea is CC(=O)c1cccc(NC(=O)Nc2cc3c(cc2Oc2ccccc2)n(C)c(=O)n3C)c1.
What is the InChIKey of 1-(3-acetylphenyl)-3-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)urea?
The InChIKey is IDSRZNCUVJDRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4/c1-15(29)16-8-7-9-17(12-16)25-23(30)26-19-13-20-21(28(3)24(31)27(20)2)14-22(19)32-18-10-5-4-6-11-18/h4-14H,1-3H3,(H2,25,26,30).
What are the key properties of 1-(3-acetylphenyl)-3-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)urea?
1-(3-acetylphenyl)-3-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)urea has a molecular weight of 430.46 g/mol, XLogP of 4.52, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetylphenyl)-3-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)urea is sourced from PubChem (CID 50797454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).