2-amino-5-[2-[(1S,3S)-3-(cyclopentylamino)cyclohexyl]ethyl]-3-methyl-5-(2-phenylethyl)imidazol-4-one

C25H38N4O — CID 89106506

IUPAC2-amino-5-[2-[(1S,3S)-3-(cyclopentylamino)cyclohexyl]ethyl]-3-methyl-5-(2-phenylethyl)imidazol-4-one
SMILESCN1C(=O)C(CCc2ccccc2)(CC[C@@H]2CCC[C@H](NC3CCCC3)C2)N=C1N
InChIInChI=1S/C25H38N4O/c1-29-23(30)25(28-24(29)26,16-14-19-8-3-2-4-9-19)17-15-20-10-7-13-22(18-20)27-21-11-5-6-12-21/h2-4,8-9,20-22,27H,5-7,10-18H2,1H3,(H2,26,28)/t20-,22-,25?/m0/s1
InChIKeyVDGHIUCQJSRIJH-IIUCQXFBSA-N
MW410.61 g/mol
LogP4.02
Rot. Bonds8

About 2-amino-5-[2-[(1S,3S)-3-(cyclopentylamino)cyclohexyl]ethyl]-3-methyl-5-(2-phenylethyl)imidazol-4-one

2-amino-5-[2-[(1S,3S)-3-(cyclopentylamino)cyclohexyl]ethyl]-3-methyl-5-(2-phenylethyl)imidazol-4-one (PubChem CID 89106506) has the molecular formula C25H38N4O and a molecular weight of 410.61 g/mol. Its IUPAC name is 2-amino-5-[2-[(1S,3S)-3-(cyclopentylamino)cyclohexyl]ethyl]-3-methyl-5-(2-phenylethyl)imidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[2-[(1S,3S)-3-(cyclopentylamino)cyclohexyl]ethyl]-3-methyl-5-(2-phenylethyl)imidazol-4-one
PubChem CID89106506
Molecular FormulaC25H38N4O
Molecular Weight410.61 g/mol
Exact Mass410.30
IUPAC Name2-amino-5-[2-[(1S,3S)-3-(cyclopentylamino)cyclohexyl]ethyl]-3-methyl-5-(2-phenylethyl)imidazol-4-one
SMILESCN1C(=O)C(CCc2ccccc2)(CC[C@@H]2CCC[C@H](NC3CCCC3)C2)N=C1N
InChIInChI=1S/C25H38N4O/c1-29-23(30)25(28-24(29)26,16-14-19-8-3-2-4-9-19)17-15-20-10-7-13-22(18-20)27-21-11-5-6-12-21/h2-4,8-9,20-22,27H,5-7,10-18H2,1H3,(H2,26,28)/t20-,22-,25?/m0/s1
InChIKeyVDGHIUCQJSRIJH-IIUCQXFBSA-N
XLogP4.02
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.61
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[2-[(1S,3S)-3-(cyclopentylamino)cyclohexyl]ethyl]-3-methyl-5-(2-phenylethyl)imidazol-4-one?
The IUPAC name of 2-amino-5-[2-[(1S,3S)-3-(cyclopentylamino)cyclohexyl]ethyl]-3-methyl-5-(2-phenylethyl)imidazol-4-one (CID 89106506) is 2-amino-5-[2-[(1S,3S)-3-(cyclopentylamino)cyclohexyl]ethyl]-3-methyl-5-(2-phenylethyl)imidazol-4-one.
What is the SMILES notation for 2-amino-5-[2-[(1S,3S)-3-(cyclopentylamino)cyclohexyl]ethyl]-3-methyl-5-(2-phenylethyl)imidazol-4-one?
The canonical SMILES for 2-amino-5-[2-[(1S,3S)-3-(cyclopentylamino)cyclohexyl]ethyl]-3-methyl-5-(2-phenylethyl)imidazol-4-one is CN1C(=O)C(CCc2ccccc2)(CC[C@@H]2CCC[C@H](NC3CCCC3)C2)N=C1N.
What is the InChIKey of 2-amino-5-[2-[(1S,3S)-3-(cyclopentylamino)cyclohexyl]ethyl]-3-methyl-5-(2-phenylethyl)imidazol-4-one?
The InChIKey is VDGHIUCQJSRIJH-IIUCQXFBSA-N. The full InChI is InChI=1S/C25H38N4O/c1-29-23(30)25(28-24(29)26,16-14-19-8-3-2-4-9-19)17-15-20-10-7-13-22(18-20)27-21-11-5-6-12-21/h2-4,8-9,20-22,27H,5-7,10-18H2,1H3,(H2,26,28)/t20-,22-,25?/m0/s1.
What are the key properties of 2-amino-5-[2-[(1S,3S)-3-(cyclopentylamino)cyclohexyl]ethyl]-3-methyl-5-(2-phenylethyl)imidazol-4-one?
2-amino-5-[2-[(1S,3S)-3-(cyclopentylamino)cyclohexyl]ethyl]-3-methyl-5-(2-phenylethyl)imidazol-4-one has a molecular weight of 410.61 g/mol, XLogP of 4.02, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[2-[(1S,3S)-3-(cyclopentylamino)cyclohexyl]ethyl]-3-methyl-5-(2-phenylethyl)imidazol-4-one is sourced from PubChem (CID 89106506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).