1-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-3-[(3-fluorophenyl)methyl]urea

C21H24FN5O3 — CID 50792088

IUPAC1-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-3-[(3-fluorophenyl)methyl]urea
SMILESCn1c(=O)n(C)c2cc(N3CCOCC3)c(NC(=O)NCc3cccc(F)c3)cc21
InChIInChI=1S/C21H24FN5O3/c1-25-18-11-16(24-20(28)23-13-14-4-3-5-15(22)10-14)17(27-6-8-30-9-7-27)12-19(18)26(2)21(25)29/h3-5,10-12H,6-9,13H2,1-2H3,(H2,23,24,28)
InChIKeySROOIUHOLYQBDM-UHFFFAOYSA-N
MW413.45 g/mol
LogP2.17
Rot. Bonds4

About 1-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-3-[(3-fluorophenyl)methyl]urea

1-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-3-[(3-fluorophenyl)methyl]urea (PubChem CID 50792088) has the molecular formula C21H24FN5O3 and a molecular weight of 413.45 g/mol. Its IUPAC name is 1-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-3-[(3-fluorophenyl)methyl]urea.

Molecular Properties

Compound Name1-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-3-[(3-fluorophenyl)methyl]urea
PubChem CID50792088
Molecular FormulaC21H24FN5O3
Molecular Weight413.45 g/mol
Exact Mass413.19
IUPAC Name1-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-3-[(3-fluorophenyl)methyl]urea
SMILESCn1c(=O)n(C)c2cc(N3CCOCC3)c(NC(=O)NCc3cccc(F)c3)cc21
InChIInChI=1S/C21H24FN5O3/c1-25-18-11-16(24-20(28)23-13-14-4-3-5-15(22)10-14)17(27-6-8-30-9-7-27)12-19(18)26(2)21(25)29/h3-5,10-12H,6-9,13H2,1-2H3,(H2,23,24,28)
InChIKeySROOIUHOLYQBDM-UHFFFAOYSA-N
XLogP2.17
TPSA80.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.45
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-3-[(3-fluorophenyl)methyl]urea with MolForge

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Related Compounds

1-benzyl-3-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)urea
CID 50791903
1-(1,3-diethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-3-[(3-fluorophenyl)methyl]urea
CID 50792297
1-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-3-(2,6-dimethylphenyl)urea
CID 50792069
1-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-3-[(4-methylphenyl)methyl]urea
CID 22433853
N-[(3-fluorophenyl)methyl]-3-[(4-methylphenyl)carbamoylamino]-4-morpholin-4-ylbenzamide
CID 46348983
1-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-3-propan-2-ylurea
CID 50791995
N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-2-(3-fluorophenyl)acetamide
CID 110785396
1-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-3-(oxolan-2-ylmethyl)urea
CID 50791985
1-benzyl-3-(5-chloro-2-morpholin-4-ylphenyl)urea
CID 51242905
1-[(3-fluorophenyl)methyl]-3-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]urea
CID 56793041
N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-yl-2-oxo-1H-pyridine-3-carboxamide
CID 67287131
1-(3-chloro-2-methylphenyl)-3-[(3-fluorophenyl)methyl]urea
CID 47193368

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-3-[(3-fluorophenyl)methyl]urea?
The IUPAC name of 1-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-3-[(3-fluorophenyl)methyl]urea (CID 50792088) is 1-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-3-[(3-fluorophenyl)methyl]urea.
What is the SMILES notation for 1-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-3-[(3-fluorophenyl)methyl]urea?
The canonical SMILES for 1-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-3-[(3-fluorophenyl)methyl]urea is Cn1c(=O)n(C)c2cc(N3CCOCC3)c(NC(=O)NCc3cccc(F)c3)cc21.
What is the InChIKey of 1-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-3-[(3-fluorophenyl)methyl]urea?
The InChIKey is SROOIUHOLYQBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5O3/c1-25-18-11-16(24-20(28)23-13-14-4-3-5-15(22)10-14)17(27-6-8-30-9-7-27)12-19(18)26(2)21(25)29/h3-5,10-12H,6-9,13H2,1-2H3,(H2,23,24,28).
What are the key properties of 1-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-3-[(3-fluorophenyl)methyl]urea?
1-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-3-[(3-fluorophenyl)methyl]urea has a molecular weight of 413.45 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-3-[(3-fluorophenyl)methyl]urea is sourced from PubChem (CID 50792088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).