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

C19H27N5O4 — CID 50791985

IUPAC1-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-3-(oxolan-2-ylmethyl)urea
SMILESCn1c(=O)n(C)c2cc(N3CCOCC3)c(NC(=O)NCC3CCCO3)cc21
InChIInChI=1S/C19H27N5O4/c1-22-16-10-14(21-18(25)20-12-13-4-3-7-28-13)15(24-5-8-27-9-6-24)11-17(16)23(2)19(22)26/h10-11,13H,3-9,12H2,1-2H3,(H2,20,21,25)
InChIKeyTUVNPZUMGKQDCN-UHFFFAOYSA-N
MW389.46 g/mol
LogP1.01
Rot. Bonds4

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

1-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-3-(oxolan-2-ylmethyl)urea (PubChem CID 50791985) has the molecular formula C19H27N5O4 and a molecular weight of 389.46 g/mol. Its IUPAC name is 1-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-3-(oxolan-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-3-(oxolan-2-ylmethyl)urea
PubChem CID50791985
Molecular FormulaC19H27N5O4
Molecular Weight389.46 g/mol
Exact Mass389.21
IUPAC Name1-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-3-(oxolan-2-ylmethyl)urea
SMILESCn1c(=O)n(C)c2cc(N3CCOCC3)c(NC(=O)NCC3CCCO3)cc21
InChIInChI=1S/C19H27N5O4/c1-22-16-10-14(21-18(25)20-12-13-4-3-7-28-13)15(24-5-8-27-9-6-24)11-17(16)23(2)19(22)26/h10-11,13H,3-9,12H2,1-2H3,(H2,20,21,25)
InChIKeyTUVNPZUMGKQDCN-UHFFFAOYSA-N
XLogP1.01
TPSA89.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-3-(oxolan-2-ylmethyl)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-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-3-[(3-fluorophenyl)methyl]urea
CID 50792088
1-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 95974856
1-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 94167086
2,2-dimethyl-N-(2-morpholin-4-ylphenyl)-N'-(oxolan-2-ylmethyl)propanediamide
CID 108960131
1-(2,4-dimethylphenyl)-3-(oxolan-2-ylmethyl)urea
CID 6467733
4,5-difluoro-2-(oxolan-2-ylmethylcarbamoylamino)benzoic acid
CID 62866631
1-(2-ethylphenyl)-3-(oxolan-2-ylmethyl)urea
CID 3764609
1-(5-chloro-2-methylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 51427378
1-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]-3-(oxolan-2-ylmethyl)urea
CID 71883148
1-[(2S)-butan-2-yl]-3-(1,3-dimethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)urea
CID 95050232
1-(1,5-dimethylpyrazol-3-yl)-3-(oxolan-2-ylmethyl)urea
CID 108813280

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-3-(oxolan-2-ylmethyl)urea?
The IUPAC name of 1-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-3-(oxolan-2-ylmethyl)urea (CID 50791985) is 1-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-3-(oxolan-2-ylmethyl)urea.
What is the SMILES notation for 1-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-3-(oxolan-2-ylmethyl)urea?
The canonical SMILES for 1-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-3-(oxolan-2-ylmethyl)urea is Cn1c(=O)n(C)c2cc(N3CCOCC3)c(NC(=O)NCC3CCCO3)cc21.
What is the InChIKey of 1-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-3-(oxolan-2-ylmethyl)urea?
The InChIKey is TUVNPZUMGKQDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O4/c1-22-16-10-14(21-18(25)20-12-13-4-3-7-28-13)15(24-5-8-27-9-6-24)11-17(16)23(2)19(22)26/h10-11,13H,3-9,12H2,1-2H3,(H2,20,21,25).
What are the key properties of 1-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-3-(oxolan-2-ylmethyl)urea?
1-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-3-(oxolan-2-ylmethyl)urea has a molecular weight of 389.46 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 7 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-(oxolan-2-ylmethyl)urea is sourced from PubChem (CID 50791985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).