(5S)-5-[(2-chlorophenyl)methyl]-3-(cyclopropylmethyl)-5-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]imidazolidine-2,4-dione

C25H32ClN5O2 — CID 42425157

IUPAC(5S)-5-[(2-chlorophenyl)methyl]-3-(cyclopropylmethyl)-5-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]imidazolidine-2,4-dione
SMILESCc1c(CN2CCC([C@]3(Cc4ccccc4Cl)NC(=O)N(CC4CC4)C3=O)CC2)cnn1C
InChIInChI=1S/C25H32ClN5O2/c1-17-20(14-27-29(17)2)16-30-11-9-21(10-12-30)25(13-19-5-3-4-6-22(19)26)23(32)31(24(33)28-25)15-18-7-8-18/h3-6,14,18,21H,7-13,15-16H2,1-2H3,(H,28,33)/t25-/m0/s1
InChIKeyLEWDXUMNJFYKFC-VWLOTQADSA-N
MW470.02 g/mol
LogP3.54
Rot. Bonds7

About (5S)-5-[(2-chlorophenyl)methyl]-3-(cyclopropylmethyl)-5-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]imidazolidine-2,4-dione

(5S)-5-[(2-chlorophenyl)methyl]-3-(cyclopropylmethyl)-5-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]imidazolidine-2,4-dione (PubChem CID 42425157) has the molecular formula C25H32ClN5O2 and a molecular weight of 470.02 g/mol. Its IUPAC name is (5S)-5-[(2-chlorophenyl)methyl]-3-(cyclopropylmethyl)-5-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[(2-chlorophenyl)methyl]-3-(cyclopropylmethyl)-5-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]imidazolidine-2,4-dione
PubChem CID42425157
Molecular FormulaC25H32ClN5O2
Molecular Weight470.02 g/mol
Exact Mass469.22
IUPAC Name(5S)-5-[(2-chlorophenyl)methyl]-3-(cyclopropylmethyl)-5-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]imidazolidine-2,4-dione
SMILESCc1c(CN2CCC([C@]3(Cc4ccccc4Cl)NC(=O)N(CC4CC4)C3=O)CC2)cnn1C
InChIInChI=1S/C25H32ClN5O2/c1-17-20(14-27-29(17)2)16-30-11-9-21(10-12-30)25(13-19-5-3-4-6-22(19)26)23(32)31(24(33)28-25)15-18-7-8-18/h3-6,14,18,21H,7-13,15-16H2,1-2H3,(H,28,33)/t25-/m0/s1
InChIKeyLEWDXUMNJFYKFC-VWLOTQADSA-N
XLogP3.54
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.02
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(2-chlorophenyl)methyl]-3-(cyclopropylmethyl)-5-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[(2-chlorophenyl)methyl]-3-(cyclopropylmethyl)-5-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]imidazolidine-2,4-dione (CID 42425157) is (5S)-5-[(2-chlorophenyl)methyl]-3-(cyclopropylmethyl)-5-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[(2-chlorophenyl)methyl]-3-(cyclopropylmethyl)-5-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[(2-chlorophenyl)methyl]-3-(cyclopropylmethyl)-5-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]imidazolidine-2,4-dione is Cc1c(CN2CCC([C@]3(Cc4ccccc4Cl)NC(=O)N(CC4CC4)C3=O)CC2)cnn1C.
What is the InChIKey of (5S)-5-[(2-chlorophenyl)methyl]-3-(cyclopropylmethyl)-5-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]imidazolidine-2,4-dione?
The InChIKey is LEWDXUMNJFYKFC-VWLOTQADSA-N. The full InChI is InChI=1S/C25H32ClN5O2/c1-17-20(14-27-29(17)2)16-30-11-9-21(10-12-30)25(13-19-5-3-4-6-22(19)26)23(32)31(24(33)28-25)15-18-7-8-18/h3-6,14,18,21H,7-13,15-16H2,1-2H3,(H,28,33)/t25-/m0/s1.
What are the key properties of (5S)-5-[(2-chlorophenyl)methyl]-3-(cyclopropylmethyl)-5-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]imidazolidine-2,4-dione?
(5S)-5-[(2-chlorophenyl)methyl]-3-(cyclopropylmethyl)-5-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]imidazolidine-2,4-dione has a molecular weight of 470.02 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(2-chlorophenyl)methyl]-3-(cyclopropylmethyl)-5-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 42425157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).