1-methyl-3-[2-(1-methylbenzimidazol-2-yl)ethyl]-1-[3-[(2R)-oxolan-2-yl]propyl]urea

C19H28N4O2 — CID 126428709

IUPAC1-methyl-3-[2-(1-methylbenzimidazol-2-yl)ethyl]-1-[3-[(2R)-oxolan-2-yl]propyl]urea
SMILESCN(CCC[C@@H]1CCCO1)C(=O)NCCc1nc2ccccc2n1C
InChIInChI=1S/C19H28N4O2/c1-22(13-5-7-15-8-6-14-25-15)19(24)20-12-11-18-21-16-9-3-4-10-17(16)23(18)2/h3-4,9-10,15H,5-8,11-14H2,1-2H3,(H,20,24)/t15-/m1/s1
InChIKeyNUKOQJDJFJVBNG-OAHLLOKOSA-N
MW344.46 g/mol
LogP2.72
Rot. Bonds7

About 1-methyl-3-[2-(1-methylbenzimidazol-2-yl)ethyl]-1-[3-[(2R)-oxolan-2-yl]propyl]urea

1-methyl-3-[2-(1-methylbenzimidazol-2-yl)ethyl]-1-[3-[(2R)-oxolan-2-yl]propyl]urea (PubChem CID 126428709) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 1-methyl-3-[2-(1-methylbenzimidazol-2-yl)ethyl]-1-[3-[(2R)-oxolan-2-yl]propyl]urea.

Molecular Properties

Compound Name1-methyl-3-[2-(1-methylbenzimidazol-2-yl)ethyl]-1-[3-[(2R)-oxolan-2-yl]propyl]urea
PubChem CID126428709
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name1-methyl-3-[2-(1-methylbenzimidazol-2-yl)ethyl]-1-[3-[(2R)-oxolan-2-yl]propyl]urea
SMILESCN(CCC[C@@H]1CCCO1)C(=O)NCCc1nc2ccccc2n1C
InChIInChI=1S/C19H28N4O2/c1-22(13-5-7-15-8-6-14-25-15)19(24)20-12-11-18-21-16-9-3-4-10-17(16)23(18)2/h3-4,9-10,15H,5-8,11-14H2,1-2H3,(H,20,24)/t15-/m1/s1
InChIKeyNUKOQJDJFJVBNG-OAHLLOKOSA-N
XLogP2.72
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methyl-3-[2-(1-methylbenzimidazol-2-yl)ethyl]-1-[3-[(2R)-oxolan-2-yl]propyl]urea with MolForge

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Related Compounds

N-[3-(1-methylbenzimidazol-2-yl)propyl]oxolane-2-carboxamide
CID 16981769
N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 167983187
3-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]-1-methyl-1-[3-[(2R)-oxolan-2-yl]propyl]urea
CID 125438875
2-[2-(2-acetamidoethyl)benzimidazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 17030256
N-[2-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide
CID 17030599
N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2-(oxan-4-yl)propanamide
CID 91918229
N-[2-(1-hexadecylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide
CID 16975315
N-[2-(1-dodecylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide
CID 16975314
4-ethyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]morpholine-2-carboxamide
CID 71984927
(2S,3R)-N,2-dimethyl-N-[(1-methylbenzimidazol-2-yl)methyl]oxane-3-carboxamide
CID 129401690
methyl 2-[2-[2-(oxolane-2-carbonylamino)ethyl]benzimidazol-1-yl]acetate
CID 16975447
3-methyl-N-[2-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17030841

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-(1-methylbenzimidazol-2-yl)ethyl]-1-[3-[(2R)-oxolan-2-yl]propyl]urea?
The IUPAC name of 1-methyl-3-[2-(1-methylbenzimidazol-2-yl)ethyl]-1-[3-[(2R)-oxolan-2-yl]propyl]urea (CID 126428709) is 1-methyl-3-[2-(1-methylbenzimidazol-2-yl)ethyl]-1-[3-[(2R)-oxolan-2-yl]propyl]urea.
What is the SMILES notation for 1-methyl-3-[2-(1-methylbenzimidazol-2-yl)ethyl]-1-[3-[(2R)-oxolan-2-yl]propyl]urea?
The canonical SMILES for 1-methyl-3-[2-(1-methylbenzimidazol-2-yl)ethyl]-1-[3-[(2R)-oxolan-2-yl]propyl]urea is CN(CCC[C@@H]1CCCO1)C(=O)NCCc1nc2ccccc2n1C.
What is the InChIKey of 1-methyl-3-[2-(1-methylbenzimidazol-2-yl)ethyl]-1-[3-[(2R)-oxolan-2-yl]propyl]urea?
The InChIKey is NUKOQJDJFJVBNG-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-22(13-5-7-15-8-6-14-25-15)19(24)20-12-11-18-21-16-9-3-4-10-17(16)23(18)2/h3-4,9-10,15H,5-8,11-14H2,1-2H3,(H,20,24)/t15-/m1/s1.
What are the key properties of 1-methyl-3-[2-(1-methylbenzimidazol-2-yl)ethyl]-1-[3-[(2R)-oxolan-2-yl]propyl]urea?
1-methyl-3-[2-(1-methylbenzimidazol-2-yl)ethyl]-1-[3-[(2R)-oxolan-2-yl]propyl]urea has a molecular weight of 344.46 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-(1-methylbenzimidazol-2-yl)ethyl]-1-[3-[(2R)-oxolan-2-yl]propyl]urea is sourced from PubChem (CID 126428709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).