1-benzyl-3-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)urea

C21H25N5O3 — CID 50791903

IUPAC1-benzyl-3-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)urea
SMILESCn1c(=O)n(C)c2cc(N3CCOCC3)c(NC(=O)NCc3ccccc3)cc21
InChIInChI=1S/C21H25N5O3/c1-24-18-12-16(23-20(27)22-14-15-6-4-3-5-7-15)17(26-8-10-29-11-9-26)13-19(18)25(2)21(24)28/h3-7,12-13H,8-11,14H2,1-2H3,(H2,22,23,27)
InChIKeyXVPUEUJZBZMZBF-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.04
Rot. Bonds4

About 1-benzyl-3-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)urea

1-benzyl-3-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)urea (PubChem CID 50791903) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is 1-benzyl-3-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)urea.

Molecular Properties

Compound Name1-benzyl-3-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)urea
PubChem CID50791903
Molecular FormulaC21H25N5O3
Molecular Weight395.46 g/mol
Exact Mass395.20
IUPAC Name1-benzyl-3-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)urea
SMILESCn1c(=O)n(C)c2cc(N3CCOCC3)c(NC(=O)NCc3ccccc3)cc21
InChIInChI=1S/C21H25N5O3/c1-24-18-12-16(23-20(27)22-14-15-6-4-3-5-7-15)17(26-8-10-29-11-9-26)13-19(18)25(2)21(24)28/h3-7,12-13H,8-11,14H2,1-2H3,(H2,22,23,27)
InChIKeyXVPUEUJZBZMZBF-UHFFFAOYSA-N
XLogP2.04
TPSA80.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-3-[(3-fluorophenyl)methyl]urea
CID 50792088
1-benzyl-3-(5-chloro-2-morpholin-4-ylphenyl)urea
CID 51242905
1-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-3-[(4-methylphenyl)methyl]urea
CID 22433853
1-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-3-(2,6-dimethylphenyl)urea
CID 50792069
1-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-3-propan-2-ylurea
CID 50791995
1-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-3-(oxolan-2-ylmethyl)urea
CID 50791985
1-benzyl-3-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)urea
CID 50797574
N-[3-(benzylcarbamoylamino)-4-pyrrolidin-1-ylphenyl]-4-methylbenzamide
CID 46326423
1-[(2-methylphenyl)methyl]-3-(2-morpholin-4-ylphenyl)urea
CID 108897210
2-bromo-N-(1,4-dimethyl-7-morpholin-4-yl-2,3-dioxoquinoxalin-6-yl)benzamide
CID 41156605
1-benzyl-3-morpholin-4-ylurea
CID 107653208
1-(1,3-diethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-3-[(3-fluorophenyl)methyl]urea
CID 50792297

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)urea?
The IUPAC name of 1-benzyl-3-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)urea (CID 50791903) is 1-benzyl-3-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)urea.
What is the SMILES notation for 1-benzyl-3-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)urea?
The canonical SMILES for 1-benzyl-3-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)urea is Cn1c(=O)n(C)c2cc(N3CCOCC3)c(NC(=O)NCc3ccccc3)cc21.
What is the InChIKey of 1-benzyl-3-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)urea?
The InChIKey is XVPUEUJZBZMZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3/c1-24-18-12-16(23-20(27)22-14-15-6-4-3-5-7-15)17(26-8-10-29-11-9-26)13-19(18)25(2)21(24)28/h3-7,12-13H,8-11,14H2,1-2H3,(H2,22,23,27).
What are the key properties of 1-benzyl-3-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)urea?
1-benzyl-3-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)urea has a molecular weight of 395.46 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)urea is sourced from PubChem (CID 50791903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).