1-methyl-3-[2-methyl-1-(1-methylimidazol-2-yl)propyl]-1-[(3-methyloxetan-3-yl)methyl]urea

C15H26N4O2 — CID 122571679

IUPAC1-methyl-3-[2-methyl-1-(1-methylimidazol-2-yl)propyl]-1-[(3-methyloxetan-3-yl)methyl]urea
SMILESCC(C)C(NC(=O)N(C)CC1(C)COC1)c1nccn1C
InChIInChI=1S/C15H26N4O2/c1-11(2)12(13-16-6-7-18(13)4)17-14(20)19(5)8-15(3)9-21-10-15/h6-7,11-12H,8-10H2,1-5H3,(H,17,20)
InChIKeyGIGNNECRZJDYGA-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.80
Rot. Bonds5

About 1-methyl-3-[2-methyl-1-(1-methylimidazol-2-yl)propyl]-1-[(3-methyloxetan-3-yl)methyl]urea

1-methyl-3-[2-methyl-1-(1-methylimidazol-2-yl)propyl]-1-[(3-methyloxetan-3-yl)methyl]urea (PubChem CID 122571679) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-methyl-3-[2-methyl-1-(1-methylimidazol-2-yl)propyl]-1-[(3-methyloxetan-3-yl)methyl]urea.

Molecular Properties

Compound Name1-methyl-3-[2-methyl-1-(1-methylimidazol-2-yl)propyl]-1-[(3-methyloxetan-3-yl)methyl]urea
PubChem CID122571679
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name1-methyl-3-[2-methyl-1-(1-methylimidazol-2-yl)propyl]-1-[(3-methyloxetan-3-yl)methyl]urea
SMILESCC(C)C(NC(=O)N(C)CC1(C)COC1)c1nccn1C
InChIInChI=1S/C15H26N4O2/c1-11(2)12(13-16-6-7-18(13)4)17-14(20)19(5)8-15(3)9-21-10-15/h6-7,11-12H,8-10H2,1-5H3,(H,17,20)
InChIKeyGIGNNECRZJDYGA-UHFFFAOYSA-N
XLogP1.80
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-methyl-1-(1-methylimidazol-2-yl)propyl]-1-[(3-methyloxetan-3-yl)methyl]urea?
The IUPAC name of 1-methyl-3-[2-methyl-1-(1-methylimidazol-2-yl)propyl]-1-[(3-methyloxetan-3-yl)methyl]urea (CID 122571679) is 1-methyl-3-[2-methyl-1-(1-methylimidazol-2-yl)propyl]-1-[(3-methyloxetan-3-yl)methyl]urea.
What is the SMILES notation for 1-methyl-3-[2-methyl-1-(1-methylimidazol-2-yl)propyl]-1-[(3-methyloxetan-3-yl)methyl]urea?
The canonical SMILES for 1-methyl-3-[2-methyl-1-(1-methylimidazol-2-yl)propyl]-1-[(3-methyloxetan-3-yl)methyl]urea is CC(C)C(NC(=O)N(C)CC1(C)COC1)c1nccn1C.
What is the InChIKey of 1-methyl-3-[2-methyl-1-(1-methylimidazol-2-yl)propyl]-1-[(3-methyloxetan-3-yl)methyl]urea?
The InChIKey is GIGNNECRZJDYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-11(2)12(13-16-6-7-18(13)4)17-14(20)19(5)8-15(3)9-21-10-15/h6-7,11-12H,8-10H2,1-5H3,(H,17,20).
What are the key properties of 1-methyl-3-[2-methyl-1-(1-methylimidazol-2-yl)propyl]-1-[(3-methyloxetan-3-yl)methyl]urea?
1-methyl-3-[2-methyl-1-(1-methylimidazol-2-yl)propyl]-1-[(3-methyloxetan-3-yl)methyl]urea has a molecular weight of 294.40 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-methyl-1-(1-methylimidazol-2-yl)propyl]-1-[(3-methyloxetan-3-yl)methyl]urea is sourced from PubChem (CID 122571679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).