1-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-3-propan-2-ylurea

C17H25N5O3 — CID 50791995

IUPAC1-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1cc2c(cc1N1CCOCC1)n(C)c(=O)n2C
InChIInChI=1S/C17H25N5O3/c1-11(2)18-16(23)19-12-9-14-15(21(4)17(24)20(14)3)10-13(12)22-5-7-25-8-6-22/h9-11H,5-8H2,1-4H3,(H2,18,19,23)
InChIKeyIPWRAPKNPSMZEH-UHFFFAOYSA-N
MW347.42 g/mol
LogP1.24
Rot. Bonds3

About 1-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-3-propan-2-ylurea

1-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-3-propan-2-ylurea (PubChem CID 50791995) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is 1-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-3-propan-2-ylurea.

Molecular Properties

Compound Name1-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-3-propan-2-ylurea
PubChem CID50791995
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC Name1-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1cc2c(cc1N1CCOCC1)n(C)c(=O)n2C
InChIInChI=1S/C17H25N5O3/c1-11(2)18-16(23)19-12-9-14-15(21(4)17(24)20(14)3)10-13(12)22-5-7-25-8-6-22/h9-11H,5-8H2,1-4H3,(H2,18,19,23)
InChIKeyIPWRAPKNPSMZEH-UHFFFAOYSA-N
XLogP1.24
TPSA80.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2S)-butan-2-yl]-3-(1,3-dimethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)urea
CID 95050232
1-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-3-(2,6-dimethylphenyl)urea
CID 50792069
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-(oxolan-2-ylmethyl)urea
CID 50791985
1-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-3-[(3-fluorophenyl)methyl]urea
CID 50792088
N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-2-(4-methoxyphenyl)acetamide
CID 22433047
1-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-3-(3,5-dimethylphenyl)urea
CID 28867828
1-(4-morpholin-4-ylphenyl)-3-propan-2-ylurea
CID 47173524
N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-4-methylbenzenesulfonamide
CID 15990108
N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-4-fluorobenzamide
CID 24789878
1-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-3-[(4-methylphenyl)methyl]urea
CID 22433853
1-butan-2-yl-3-(1,3-diethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)urea
CID 50792101

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-3-propan-2-ylurea?
The IUPAC name of 1-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-3-propan-2-ylurea (CID 50791995) is 1-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-3-propan-2-ylurea.
What is the SMILES notation for 1-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-3-propan-2-ylurea?
The canonical SMILES for 1-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-3-propan-2-ylurea is CC(C)NC(=O)Nc1cc2c(cc1N1CCOCC1)n(C)c(=O)n2C.
What is the InChIKey of 1-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-3-propan-2-ylurea?
The InChIKey is IPWRAPKNPSMZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O3/c1-11(2)18-16(23)19-12-9-14-15(21(4)17(24)20(14)3)10-13(12)22-5-7-25-8-6-22/h9-11H,5-8H2,1-4H3,(H2,18,19,23).
What are the key properties of 1-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-3-propan-2-ylurea?
1-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-3-propan-2-ylurea has a molecular weight of 347.42 g/mol, XLogP of 1.24, 3 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-propan-2-ylurea is sourced from PubChem (CID 50791995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).