2-[(3S)-3-[[(4R)-2-amino-1-methyl-5-oxo-4-(2-phenylethyl)imidazol-4-yl]methyl]cyclohexyl]-N-naphthalen-2-ylacetamide

C31H36N4O2 — CID 58425054

IUPAC2-[(3S)-3-[[(4R)-2-amino-1-methyl-5-oxo-4-(2-phenylethyl)imidazol-4-yl]methyl]cyclohexyl]-N-naphthalen-2-ylacetamide
SMILESCN1C(=O)[C@@](CCc2ccccc2)(C[C@H]2CCCC(CC(=O)Nc3ccc4ccccc4c3)C2)N=C1N
InChIInChI=1S/C31H36N4O2/c1-35-29(37)31(34-30(35)32,17-16-22-8-3-2-4-9-22)21-24-11-7-10-23(18-24)19-28(36)33-27-15-14-25-12-5-6-13-26(25)20-27/h2-6,8-9,12-15,20,23-24H,7,10-11,16-19,21H2,1H3,(H2,32,34)(H,33,36)/t23?,24-,31+/m0/s1
InChIKeyRNQSQAYWUHNWPS-JZYXPYBJSA-N
MW496.66 g/mol
LogP5.52
Rot. Bonds8

About 2-[(3S)-3-[[(4R)-2-amino-1-methyl-5-oxo-4-(2-phenylethyl)imidazol-4-yl]methyl]cyclohexyl]-N-naphthalen-2-ylacetamide

2-[(3S)-3-[[(4R)-2-amino-1-methyl-5-oxo-4-(2-phenylethyl)imidazol-4-yl]methyl]cyclohexyl]-N-naphthalen-2-ylacetamide (PubChem CID 58425054) has the molecular formula C31H36N4O2 and a molecular weight of 496.66 g/mol. Its IUPAC name is 2-[(3S)-3-[[(4R)-2-amino-1-methyl-5-oxo-4-(2-phenylethyl)imidazol-4-yl]methyl]cyclohexyl]-N-naphthalen-2-ylacetamide.

Molecular Properties

Compound Name2-[(3S)-3-[[(4R)-2-amino-1-methyl-5-oxo-4-(2-phenylethyl)imidazol-4-yl]methyl]cyclohexyl]-N-naphthalen-2-ylacetamide
PubChem CID58425054
Molecular FormulaC31H36N4O2
Molecular Weight496.66 g/mol
Exact Mass496.28
IUPAC Name2-[(3S)-3-[[(4R)-2-amino-1-methyl-5-oxo-4-(2-phenylethyl)imidazol-4-yl]methyl]cyclohexyl]-N-naphthalen-2-ylacetamide
SMILESCN1C(=O)[C@@](CCc2ccccc2)(C[C@H]2CCCC(CC(=O)Nc3ccc4ccccc4c3)C2)N=C1N
InChIInChI=1S/C31H36N4O2/c1-35-29(37)31(34-30(35)32,17-16-22-8-3-2-4-9-22)21-24-11-7-10-23(18-24)19-28(36)33-27-15-14-25-12-5-6-13-26(25)20-27/h2-6,8-9,12-15,20,23-24H,7,10-11,16-19,21H2,1H3,(H2,32,34)(H,33,36)/t23?,24-,31+/m0/s1
InChIKeyRNQSQAYWUHNWPS-JZYXPYBJSA-N
XLogP5.52
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.66
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(3S)-3-[[(4R)-2-amino-1-methyl-5-oxo-4-(2-phenylethyl)imidazol-4-yl]methyl]cyclohexyl]-N-naphthalen-2-ylacetamide with MolForge

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Launch Full Analysis

Related Compounds

2-[(1R,3S)-3-[[(4R)-2-amino-1-methyl-5-oxo-4-(2-phenylethyl)imidazol-4-yl]methyl]cyclohexyl]-N-naphthalen-2-ylacetamide;3,5-dimethyl-5-[3-[3-(trifluoromethoxy)phenyl]phenyl]-4H-imidazol-2-amine;5-[3-(6-methoxy-3-pyridinyl)phenyl]-3,5-dimethyl-4H-imidazol-2-amine
CID 159520378
1-[(1R,3S)-3-[[(4R)-2-amino-4-(3-cyclohexylpropyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-naphthalen-2-ylurea
CID 163694065
(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-(3-naphthalen-2-yl-2-oxopropyl)cyclohexyl]methyl]imidazol-4-one
CID 58425320
3-[(3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-methyl-N-naphthalen-2-ylbutanamide
CID 163532654
(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-(2-phenylethylamino)cyclohexyl]methyl]imidazol-4-one
CID 59386834
1-[(1S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-phenylurea
CID 11775374
N-[3-[(4S)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]-4-fluorophenyl]-2-cyclobutylacetamide
CID 66727509
N-[3-[[(4S)-2-amino-4-(cyclohexylmethyl)-1-methyl-5-oxoimidazol-4-yl]methoxy]phenyl]acetamide
CID 118911609
1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-(3-methoxyphenyl)urea
CID 59262469
(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(3R)-3-(quinolin-2-ylamino)cyclohexyl]methyl]imidazol-4-one
CID 58646315
N-[(1R)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]benzenesulfonamide
CID 59387953
1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-[4-(dimethylamino)phenyl]urea
CID 59387135

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-[[(4R)-2-amino-1-methyl-5-oxo-4-(2-phenylethyl)imidazol-4-yl]methyl]cyclohexyl]-N-naphthalen-2-ylacetamide?
The IUPAC name of 2-[(3S)-3-[[(4R)-2-amino-1-methyl-5-oxo-4-(2-phenylethyl)imidazol-4-yl]methyl]cyclohexyl]-N-naphthalen-2-ylacetamide (CID 58425054) is 2-[(3S)-3-[[(4R)-2-amino-1-methyl-5-oxo-4-(2-phenylethyl)imidazol-4-yl]methyl]cyclohexyl]-N-naphthalen-2-ylacetamide.
What is the SMILES notation for 2-[(3S)-3-[[(4R)-2-amino-1-methyl-5-oxo-4-(2-phenylethyl)imidazol-4-yl]methyl]cyclohexyl]-N-naphthalen-2-ylacetamide?
The canonical SMILES for 2-[(3S)-3-[[(4R)-2-amino-1-methyl-5-oxo-4-(2-phenylethyl)imidazol-4-yl]methyl]cyclohexyl]-N-naphthalen-2-ylacetamide is CN1C(=O)[C@@](CCc2ccccc2)(C[C@H]2CCCC(CC(=O)Nc3ccc4ccccc4c3)C2)N=C1N.
What is the InChIKey of 2-[(3S)-3-[[(4R)-2-amino-1-methyl-5-oxo-4-(2-phenylethyl)imidazol-4-yl]methyl]cyclohexyl]-N-naphthalen-2-ylacetamide?
The InChIKey is RNQSQAYWUHNWPS-JZYXPYBJSA-N. The full InChI is InChI=1S/C31H36N4O2/c1-35-29(37)31(34-30(35)32,17-16-22-8-3-2-4-9-22)21-24-11-7-10-23(18-24)19-28(36)33-27-15-14-25-12-5-6-13-26(25)20-27/h2-6,8-9,12-15,20,23-24H,7,10-11,16-19,21H2,1H3,(H2,32,34)(H,33,36)/t23?,24-,31+/m0/s1.
What are the key properties of 2-[(3S)-3-[[(4R)-2-amino-1-methyl-5-oxo-4-(2-phenylethyl)imidazol-4-yl]methyl]cyclohexyl]-N-naphthalen-2-ylacetamide?
2-[(3S)-3-[[(4R)-2-amino-1-methyl-5-oxo-4-(2-phenylethyl)imidazol-4-yl]methyl]cyclohexyl]-N-naphthalen-2-ylacetamide has a molecular weight of 496.66 g/mol, XLogP of 5.52, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-[[(4R)-2-amino-1-methyl-5-oxo-4-(2-phenylethyl)imidazol-4-yl]methyl]cyclohexyl]-N-naphthalen-2-ylacetamide is sourced from PubChem (CID 58425054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).