2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[(1-pentanoylpyrrolidin-3-yl)methyl]imidazol-4-one

C22H38N4O2 — CID 72802568

IUPAC2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[(1-pentanoylpyrrolidin-3-yl)methyl]imidazol-4-one
SMILESCCCCC(=O)N1CCC(CC2(CCC3CCCCC3)N=C(N)N(C)C2=O)C1
InChIInChI=1S/C22H38N4O2/c1-3-4-10-19(27)26-14-12-18(16-26)15-22(20(28)25(2)21(23)24-22)13-11-17-8-6-5-7-9-17/h17-18H,3-16H2,1-2H3,(H2,23,24)
InChIKeyMNXDSLVDLSSUGR-UHFFFAOYSA-N
MW390.57 g/mol
LogP3.30
Rot. Bonds8

About 2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[(1-pentanoylpyrrolidin-3-yl)methyl]imidazol-4-one

2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[(1-pentanoylpyrrolidin-3-yl)methyl]imidazol-4-one (PubChem CID 72802568) has the molecular formula C22H38N4O2 and a molecular weight of 390.57 g/mol. Its IUPAC name is 2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[(1-pentanoylpyrrolidin-3-yl)methyl]imidazol-4-one.

Molecular Properties

Compound Name2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[(1-pentanoylpyrrolidin-3-yl)methyl]imidazol-4-one
PubChem CID72802568
Molecular FormulaC22H38N4O2
Molecular Weight390.57 g/mol
Exact Mass390.30
IUPAC Name2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[(1-pentanoylpyrrolidin-3-yl)methyl]imidazol-4-one
SMILESCCCCC(=O)N1CCC(CC2(CCC3CCCCC3)N=C(N)N(C)C2=O)C1
InChIInChI=1S/C22H38N4O2/c1-3-4-10-19(27)26-14-12-18(16-26)15-22(20(28)25(2)21(23)24-22)13-11-17-8-6-5-7-9-17/h17-18H,3-16H2,1-2H3,(H2,23,24)
InChIKeyMNXDSLVDLSSUGR-UHFFFAOYSA-N
XLogP3.30
TPSA79.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.57
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[(1-pentanoylpyrrolidin-3-yl)methyl]imidazol-4-one with MolForge

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Related Compounds

(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)-5-[[(1S,3S)-3-(2-cyclopropylethyl)cyclohexyl]methyl]-3-methylimidazol-4-one
CID 58425072
N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]cyclopentanecarboxamide
CID 59388787
(5S)-2-amino-5-(2-cyclohexylethyl)-5-[[(2R)-5-(cyclopentanecarbonyl)pyrrolidin-2-yl]methyl]-3-methylimidazol-4-one
CID 89382028
(5S)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(3R)-1-[[(1Z,5Z,7Z)-2-methylcycloocta-1,5,7-trien-1-yl]methyl]pyrrolidin-3-yl]methyl]imidazol-4-one
CID 118911535
(5S)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(3R)-3-methyl-1-(2-phenylacetyl)pyrrolidin-3-yl]methyl]imidazol-4-one
CID 143244228
2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-(4-methylhexyl)imidazol-4-one
CID 143064497
(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1R,3R)-3-[[(3S)-2-oxopyrrolidin-3-yl]methyl]cyclohexyl]methyl]imidazol-4-one
CID 58425203
N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]pyrimidine-5-carboxamide
CID 59262439
N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-chlorobenzamide
CID 11496530
1-[(1S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-phenylurea
CID 11775374
N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-4-chlorobenzamide
CID 59262388

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[(1-pentanoylpyrrolidin-3-yl)methyl]imidazol-4-one?
The IUPAC name of 2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[(1-pentanoylpyrrolidin-3-yl)methyl]imidazol-4-one (CID 72802568) is 2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[(1-pentanoylpyrrolidin-3-yl)methyl]imidazol-4-one.
What is the SMILES notation for 2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[(1-pentanoylpyrrolidin-3-yl)methyl]imidazol-4-one?
The canonical SMILES for 2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[(1-pentanoylpyrrolidin-3-yl)methyl]imidazol-4-one is CCCCC(=O)N1CCC(CC2(CCC3CCCCC3)N=C(N)N(C)C2=O)C1.
What is the InChIKey of 2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[(1-pentanoylpyrrolidin-3-yl)methyl]imidazol-4-one?
The InChIKey is MNXDSLVDLSSUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N4O2/c1-3-4-10-19(27)26-14-12-18(16-26)15-22(20(28)25(2)21(23)24-22)13-11-17-8-6-5-7-9-17/h17-18H,3-16H2,1-2H3,(H2,23,24).
What are the key properties of 2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[(1-pentanoylpyrrolidin-3-yl)methyl]imidazol-4-one?
2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[(1-pentanoylpyrrolidin-3-yl)methyl]imidazol-4-one has a molecular weight of 390.57 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[(1-pentanoylpyrrolidin-3-yl)methyl]imidazol-4-one is sourced from PubChem (CID 72802568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).