5-[(6-chloro-3-pyridinyl)methyl]-3-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]imidazolidine-2,4-dione

C20H18ClN5O2 — CID 167939013

IUPAC5-[(6-chloro-3-pyridinyl)methyl]-3-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]imidazolidine-2,4-dione
SMILESCc1cnn(Cc2ccc(N3C(=O)NC(Cc4ccc(Cl)nc4)C3=O)cc2)c1
InChIInChI=1S/C20H18ClN5O2/c1-13-9-23-25(11-13)12-14-2-5-16(6-3-14)26-19(27)17(24-20(26)28)8-15-4-7-18(21)22-10-15/h2-7,9-11,17H,8,12H2,1H3,(H,24,28)
InChIKeyZROSHDSBYPBNAF-UHFFFAOYSA-N
MW395.85 g/mol
LogP2.96
Rot. Bonds5

About 5-[(6-chloro-3-pyridinyl)methyl]-3-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]imidazolidine-2,4-dione

5-[(6-chloro-3-pyridinyl)methyl]-3-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]imidazolidine-2,4-dione (PubChem CID 167939013) has the molecular formula C20H18ClN5O2 and a molecular weight of 395.85 g/mol. Its IUPAC name is 5-[(6-chloro-3-pyridinyl)methyl]-3-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(6-chloro-3-pyridinyl)methyl]-3-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]imidazolidine-2,4-dione
PubChem CID167939013
Molecular FormulaC20H18ClN5O2
Molecular Weight395.85 g/mol
Exact Mass395.11
IUPAC Name5-[(6-chloro-3-pyridinyl)methyl]-3-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]imidazolidine-2,4-dione
SMILESCc1cnn(Cc2ccc(N3C(=O)NC(Cc4ccc(Cl)nc4)C3=O)cc2)c1
InChIInChI=1S/C20H18ClN5O2/c1-13-9-23-25(11-13)12-14-2-5-16(6-3-14)26-19(27)17(24-20(26)28)8-15-4-7-18(21)22-10-15/h2-7,9-11,17H,8,12H2,1H3,(H,24,28)
InChIKeyZROSHDSBYPBNAF-UHFFFAOYSA-N
XLogP2.96
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.85
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(6-chloro-3-pyridinyl)methyl]-3-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]imidazolidine-2,4-dione?
The IUPAC name of 5-[(6-chloro-3-pyridinyl)methyl]-3-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]imidazolidine-2,4-dione (CID 167939013) is 5-[(6-chloro-3-pyridinyl)methyl]-3-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[(6-chloro-3-pyridinyl)methyl]-3-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[(6-chloro-3-pyridinyl)methyl]-3-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]imidazolidine-2,4-dione is Cc1cnn(Cc2ccc(N3C(=O)NC(Cc4ccc(Cl)nc4)C3=O)cc2)c1.
What is the InChIKey of 5-[(6-chloro-3-pyridinyl)methyl]-3-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]imidazolidine-2,4-dione?
The InChIKey is ZROSHDSBYPBNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN5O2/c1-13-9-23-25(11-13)12-14-2-5-16(6-3-14)26-19(27)17(24-20(26)28)8-15-4-7-18(21)22-10-15/h2-7,9-11,17H,8,12H2,1H3,(H,24,28).
What are the key properties of 5-[(6-chloro-3-pyridinyl)methyl]-3-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]imidazolidine-2,4-dione?
5-[(6-chloro-3-pyridinyl)methyl]-3-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]imidazolidine-2,4-dione has a molecular weight of 395.85 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-chloro-3-pyridinyl)methyl]-3-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 167939013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).