1-[[4-(6-fluoro-1-methylbenzimidazol-2-yl)morpholin-2-yl]methyl]-3-methylurea

C15H20FN5O2 — CID 155953100

IUPAC1-[[4-(6-fluoro-1-methylbenzimidazol-2-yl)morpholin-2-yl]methyl]-3-methylurea
SMILESCNC(=O)NCC1CN(c2nc3ccc(F)cc3n2C)CCO1
InChIInChI=1S/C15H20FN5O2/c1-17-14(22)18-8-11-9-21(5-6-23-11)15-19-12-4-3-10(16)7-13(12)20(15)2/h3-4,7,11H,5-6,8-9H2,1-2H3,(H2,17,18,22)
InChIKeyZSYFNHOBVYPWFN-UHFFFAOYSA-N
MW321.36 g/mol
LogP0.85
Rot. Bonds3

About 1-[[4-(6-fluoro-1-methylbenzimidazol-2-yl)morpholin-2-yl]methyl]-3-methylurea

1-[[4-(6-fluoro-1-methylbenzimidazol-2-yl)morpholin-2-yl]methyl]-3-methylurea (PubChem CID 155953100) has the molecular formula C15H20FN5O2 and a molecular weight of 321.36 g/mol. Its IUPAC name is 1-[[4-(6-fluoro-1-methylbenzimidazol-2-yl)morpholin-2-yl]methyl]-3-methylurea.

Molecular Properties

Compound Name1-[[4-(6-fluoro-1-methylbenzimidazol-2-yl)morpholin-2-yl]methyl]-3-methylurea
PubChem CID155953100
Molecular FormulaC15H20FN5O2
Molecular Weight321.36 g/mol
Exact Mass321.16
IUPAC Name1-[[4-(6-fluoro-1-methylbenzimidazol-2-yl)morpholin-2-yl]methyl]-3-methylurea
SMILESCNC(=O)NCC1CN(c2nc3ccc(F)cc3n2C)CCO1
InChIInChI=1S/C15H20FN5O2/c1-17-14(22)18-8-11-9-21(5-6-23-11)15-19-12-4-3-10(16)7-13(12)20(15)2/h3-4,7,11H,5-6,8-9H2,1-2H3,(H2,17,18,22)
InChIKeyZSYFNHOBVYPWFN-UHFFFAOYSA-N
XLogP0.85
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-fluoro-1-methylbenzimidazol-2-yl)pyrrolidine-3-carboxylic acid
CID 122048394
1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(4-methylmorpholin-2-yl)methyl]urea
CID 138010008
(2S)-1-(6-fluoro-1-methylbenzimidazol-2-yl)pyrrolidine-2-carboxylic acid
CID 122059626
2-(2-ethylmorpholin-4-yl)-5-fluorobenzaldehyde
CID 43562829
2-[methyl-[[(2R)-4-(1-methylbenzimidazol-2-yl)morpholin-2-yl]methyl]amino]acetamide
CID 125141381
2-(3-fluorophenyl)-N-[(4-phenylmorpholin-2-yl)methyl]acetamide
CID 110710034
1-(2-cyano-4-fluorophenyl)-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea
CID 78838978
1-methyl-3-[[4-[2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetyl]morpholin-2-yl]methyl]urea
CID 167812139
methyl 1-methyl-2-[(2S)-2-(trifluoromethyl)morpholin-4-yl]benzimidazole-5-carboxylate
CID 95556081
N-[(4-phenylmorpholin-2-yl)methyl]acetamide
CID 70790066
1-methyl-3-[(4-prop-2-enoylmorpholin-2-yl)methyl]urea
CID 139015420
[(2S)-4-(6-fluoro-2,3-dimethylquinolin-4-yl)morpholin-2-yl]methanol
CID 97309123

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(6-fluoro-1-methylbenzimidazol-2-yl)morpholin-2-yl]methyl]-3-methylurea?
The IUPAC name of 1-[[4-(6-fluoro-1-methylbenzimidazol-2-yl)morpholin-2-yl]methyl]-3-methylurea (CID 155953100) is 1-[[4-(6-fluoro-1-methylbenzimidazol-2-yl)morpholin-2-yl]methyl]-3-methylurea.
What is the SMILES notation for 1-[[4-(6-fluoro-1-methylbenzimidazol-2-yl)morpholin-2-yl]methyl]-3-methylurea?
The canonical SMILES for 1-[[4-(6-fluoro-1-methylbenzimidazol-2-yl)morpholin-2-yl]methyl]-3-methylurea is CNC(=O)NCC1CN(c2nc3ccc(F)cc3n2C)CCO1.
What is the InChIKey of 1-[[4-(6-fluoro-1-methylbenzimidazol-2-yl)morpholin-2-yl]methyl]-3-methylurea?
The InChIKey is ZSYFNHOBVYPWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN5O2/c1-17-14(22)18-8-11-9-21(5-6-23-11)15-19-12-4-3-10(16)7-13(12)20(15)2/h3-4,7,11H,5-6,8-9H2,1-2H3,(H2,17,18,22).
What are the key properties of 1-[[4-(6-fluoro-1-methylbenzimidazol-2-yl)morpholin-2-yl]methyl]-3-methylurea?
1-[[4-(6-fluoro-1-methylbenzimidazol-2-yl)morpholin-2-yl]methyl]-3-methylurea has a molecular weight of 321.36 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(6-fluoro-1-methylbenzimidazol-2-yl)morpholin-2-yl]methyl]-3-methylurea is sourced from PubChem (CID 155953100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).