1-(2-adamantyl)-4-(cyclopropylmethyl)imidazolidin-2-one

C17H26N2O — CID 24966554

IUPAC1-(2-adamantyl)-4-(cyclopropylmethyl)imidazolidin-2-one
SMILESO=C1NC(CC2CC2)CN1C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H26N2O/c20-17-18-15(8-10-1-2-10)9-19(17)16-13-4-11-3-12(6-13)7-14(16)5-11/h10-16H,1-9H2,(H,18,20)
InChIKeyXCHXGNOMKHBNEC-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.01
Rot. Bonds3

About 1-(2-adamantyl)-4-(cyclopropylmethyl)imidazolidin-2-one

1-(2-adamantyl)-4-(cyclopropylmethyl)imidazolidin-2-one (PubChem CID 24966554) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-(2-adamantyl)-4-(cyclopropylmethyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(2-adamantyl)-4-(cyclopropylmethyl)imidazolidin-2-one
PubChem CID24966554
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-(2-adamantyl)-4-(cyclopropylmethyl)imidazolidin-2-one
SMILESO=C1NC(CC2CC2)CN1C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H26N2O/c20-17-18-15(8-10-1-2-10)9-19(17)16-13-4-11-3-12(6-13)7-14(16)5-11/h10-16H,1-9H2,(H,18,20)
InChIKeyXCHXGNOMKHBNEC-UHFFFAOYSA-N
XLogP3.01
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 56669514
4-(1-Adamantyl)imidazolin-2-one
CID 44430180
5-(1-Adamantyl)-1-methylimidazolidin-2-one
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CID 2192462
1-(1-Adamantyl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
CID 49134562
N-1-adamantyl-N'-{[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl}urea
CID 70788671
1-(1-Adamantyl)-3-[(4-fluoropyrrolidin-2-yl)methyl]urea
CID 77920811
1-(1-adamantyl)-3-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
CID 95049317
1-(1-adamantyl)-3-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
CID 97080660
1-(1-Adamantyl)imidazolidin-2-one
CID 12777866

Frequently Asked Questions

What is the IUPAC name of 1-(2-adamantyl)-4-(cyclopropylmethyl)imidazolidin-2-one?
The IUPAC name of 1-(2-adamantyl)-4-(cyclopropylmethyl)imidazolidin-2-one (CID 24966554) is 1-(2-adamantyl)-4-(cyclopropylmethyl)imidazolidin-2-one.
What is the SMILES notation for 1-(2-adamantyl)-4-(cyclopropylmethyl)imidazolidin-2-one?
The canonical SMILES for 1-(2-adamantyl)-4-(cyclopropylmethyl)imidazolidin-2-one is O=C1NC(CC2CC2)CN1C1C2CC3CC(C2)CC1C3.
What is the InChIKey of 1-(2-adamantyl)-4-(cyclopropylmethyl)imidazolidin-2-one?
The InChIKey is XCHXGNOMKHBNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c20-17-18-15(8-10-1-2-10)9-19(17)16-13-4-11-3-12(6-13)7-14(16)5-11/h10-16H,1-9H2,(H,18,20).
What are the key properties of 1-(2-adamantyl)-4-(cyclopropylmethyl)imidazolidin-2-one?
1-(2-adamantyl)-4-(cyclopropylmethyl)imidazolidin-2-one has a molecular weight of 274.41 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-adamantyl)-4-(cyclopropylmethyl)imidazolidin-2-one is sourced from PubChem (CID 24966554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).