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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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).