2-amino-5,5-bis(cyclohexylmethyl)-3-(2-pyrrolidin-3-ylethyl)imidazol-4-one

C23H40N4O — CID 70326286

IUPAC2-amino-5,5-bis(cyclohexylmethyl)-3-(2-pyrrolidin-3-ylethyl)imidazol-4-one
SMILESNC1=NC(CC2CCCCC2)(CC2CCCCC2)C(=O)N1CCC1CCNC1
InChIInChI=1S/C23H40N4O/c24-22-26-23(15-18-7-3-1-4-8-18,16-19-9-5-2-6-10-19)21(28)27(22)14-12-20-11-13-25-17-20/h18-20,25H,1-17H2,(H2,24,26)
InChIKeyDEULEOBQSNQRTN-UHFFFAOYSA-N
MW388.60 g/mol
LogP3.82
Rot. Bonds7

About 2-amino-5,5-bis(cyclohexylmethyl)-3-(2-pyrrolidin-3-ylethyl)imidazol-4-one

2-amino-5,5-bis(cyclohexylmethyl)-3-(2-pyrrolidin-3-ylethyl)imidazol-4-one (PubChem CID 70326286) has the molecular formula C23H40N4O and a molecular weight of 388.60 g/mol. Its IUPAC name is 2-amino-5,5-bis(cyclohexylmethyl)-3-(2-pyrrolidin-3-ylethyl)imidazol-4-one.

Molecular Properties

Compound Name2-amino-5,5-bis(cyclohexylmethyl)-3-(2-pyrrolidin-3-ylethyl)imidazol-4-one
PubChem CID70326286
Molecular FormulaC23H40N4O
Molecular Weight388.60 g/mol
Exact Mass388.32
IUPAC Name2-amino-5,5-bis(cyclohexylmethyl)-3-(2-pyrrolidin-3-ylethyl)imidazol-4-one
SMILESNC1=NC(CC2CCCCC2)(CC2CCCCC2)C(=O)N1CCC1CCNC1
InChIInChI=1S/C23H40N4O/c24-22-26-23(15-18-7-3-1-4-8-18,16-19-9-5-2-6-10-19)21(28)27(22)14-12-20-11-13-25-17-20/h18-20,25H,1-17H2,(H2,24,26)
InChIKeyDEULEOBQSNQRTN-UHFFFAOYSA-N
XLogP3.82
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.60
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(R)-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-2-imino-3-methylimidazolidin-4-one
CID 11232421
(2e,5r)-5-(2-Cyclohexylethyl)-5-{[(1s,3r)-3-(Cyclopentylamino)cyclohexyl]methyl}-2-Imino-3-Methylimidazolidin-4-One
CID 57844200
(2e,5r)-5-(2-Cyclohexylethyl)-5-{[(3r)-1-(Cyclopentylacetyl)pyrrolidin-3-Yl]methyl}-2-Imino-3-Methylimidazolidin-4-One
CID 118720056
(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3R)-3-(cyclopropylmethylamino)cyclohexyl]methyl]-3-methylimidazol-4-one
CID 57843652
(5R)-2-amino-5-[[(1S,3R)-3-(cyclohexylamino)cyclohexyl]methyl]-5-(2-cyclohexylethyl)-3-methylimidazol-4-one
CID 57844562
1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-cyclohexylurea
CID 59388200
(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(3R)-1-(2-cyclopentylacetyl)piperidin-3-yl]methyl]-3-methylimidazol-4-one
CID 118720052
(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(3R)-1-pentanoylpyrrolidin-3-yl]methyl]imidazol-4-one
CID 118720054
(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(3R)-piperidin-3-yl]methyl]imidazol-4-one
CID 118719666
(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(3R)-1-pentylpiperidin-3-yl]methyl]imidazol-4-one
CID 118719667
(3R)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]-N-propylpiperidine-1-carboxamide
CID 118719668
(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(3R)-1-pentanoylpiperidin-3-yl]methyl]imidazol-4-one
CID 118719670

Frequently Asked Questions

What is the IUPAC name of 2-amino-5,5-bis(cyclohexylmethyl)-3-(2-pyrrolidin-3-ylethyl)imidazol-4-one?
The IUPAC name of 2-amino-5,5-bis(cyclohexylmethyl)-3-(2-pyrrolidin-3-ylethyl)imidazol-4-one (CID 70326286) is 2-amino-5,5-bis(cyclohexylmethyl)-3-(2-pyrrolidin-3-ylethyl)imidazol-4-one.
What is the SMILES notation for 2-amino-5,5-bis(cyclohexylmethyl)-3-(2-pyrrolidin-3-ylethyl)imidazol-4-one?
The canonical SMILES for 2-amino-5,5-bis(cyclohexylmethyl)-3-(2-pyrrolidin-3-ylethyl)imidazol-4-one is NC1=NC(CC2CCCCC2)(CC2CCCCC2)C(=O)N1CCC1CCNC1.
What is the InChIKey of 2-amino-5,5-bis(cyclohexylmethyl)-3-(2-pyrrolidin-3-ylethyl)imidazol-4-one?
The InChIKey is DEULEOBQSNQRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40N4O/c24-22-26-23(15-18-7-3-1-4-8-18,16-19-9-5-2-6-10-19)21(28)27(22)14-12-20-11-13-25-17-20/h18-20,25H,1-17H2,(H2,24,26).
What are the key properties of 2-amino-5,5-bis(cyclohexylmethyl)-3-(2-pyrrolidin-3-ylethyl)imidazol-4-one?
2-amino-5,5-bis(cyclohexylmethyl)-3-(2-pyrrolidin-3-ylethyl)imidazol-4-one has a molecular weight of 388.60 g/mol, XLogP of 3.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5,5-bis(cyclohexylmethyl)-3-(2-pyrrolidin-3-ylethyl)imidazol-4-one is sourced from PubChem (CID 70326286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).