(4S)-N-[(2,4-dichlorophenyl)methyl]-3-methyl-1-(3-methylimidazol-4-yl)-2-oxoimidazolidine-4-carboxamide

C16H17Cl2N5O2 — CID 71450786

IUPAC(4S)-N-[(2,4-dichlorophenyl)methyl]-3-methyl-1-(3-methylimidazol-4-yl)-2-oxoimidazolidine-4-carboxamide
SMILESCN1C(=O)N(c2cncn2C)C[C@H]1C(=O)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H17Cl2N5O2/c1-21-9-19-7-14(21)23-8-13(22(2)16(23)25)15(24)20-6-10-3-4-11(17)5-12(10)18/h3-5,7,9,13H,6,8H2,1-2H3,(H,20,24)/t13-/m0/s1
InChIKeyDPIUZNNLHTZNPD-ZDUSSCGKSA-N
MW382.25 g/mol
LogP2.28
Rot. Bonds4

About (4S)-N-[(2,4-dichlorophenyl)methyl]-3-methyl-1-(3-methylimidazol-4-yl)-2-oxoimidazolidine-4-carboxamide

(4S)-N-[(2,4-dichlorophenyl)methyl]-3-methyl-1-(3-methylimidazol-4-yl)-2-oxoimidazolidine-4-carboxamide (PubChem CID 71450786) has the molecular formula C16H17Cl2N5O2 and a molecular weight of 382.25 g/mol. Its IUPAC name is (4S)-N-[(2,4-dichlorophenyl)methyl]-3-methyl-1-(3-methylimidazol-4-yl)-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[(2,4-dichlorophenyl)methyl]-3-methyl-1-(3-methylimidazol-4-yl)-2-oxoimidazolidine-4-carboxamide
PubChem CID71450786
Molecular FormulaC16H17Cl2N5O2
Molecular Weight382.25 g/mol
Exact Mass381.08
IUPAC Name(4S)-N-[(2,4-dichlorophenyl)methyl]-3-methyl-1-(3-methylimidazol-4-yl)-2-oxoimidazolidine-4-carboxamide
SMILESCN1C(=O)N(c2cncn2C)C[C@H]1C(=O)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H17Cl2N5O2/c1-21-9-19-7-14(21)23-8-13(22(2)16(23)25)15(24)20-6-10-3-4-11(17)5-12(10)18/h3-5,7,9,13H,6,8H2,1-2H3,(H,20,24)/t13-/m0/s1
InChIKeyDPIUZNNLHTZNPD-ZDUSSCGKSA-N
XLogP2.28
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.25
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-N-[(2,4-dichlorophenyl)methyl]-3-methyl-1-(3-methylimidazol-4-yl)-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of (4S)-N-[(2,4-dichlorophenyl)methyl]-3-methyl-1-(3-methylimidazol-4-yl)-2-oxoimidazolidine-4-carboxamide (CID 71450786) is (4S)-N-[(2,4-dichlorophenyl)methyl]-3-methyl-1-(3-methylimidazol-4-yl)-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-[(2,4-dichlorophenyl)methyl]-3-methyl-1-(3-methylimidazol-4-yl)-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-[(2,4-dichlorophenyl)methyl]-3-methyl-1-(3-methylimidazol-4-yl)-2-oxoimidazolidine-4-carboxamide is CN1C(=O)N(c2cncn2C)C[C@H]1C(=O)NCc1ccc(Cl)cc1Cl.
What is the InChIKey of (4S)-N-[(2,4-dichlorophenyl)methyl]-3-methyl-1-(3-methylimidazol-4-yl)-2-oxoimidazolidine-4-carboxamide?
The InChIKey is DPIUZNNLHTZNPD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H17Cl2N5O2/c1-21-9-19-7-14(21)23-8-13(22(2)16(23)25)15(24)20-6-10-3-4-11(17)5-12(10)18/h3-5,7,9,13H,6,8H2,1-2H3,(H,20,24)/t13-/m0/s1.
What are the key properties of (4S)-N-[(2,4-dichlorophenyl)methyl]-3-methyl-1-(3-methylimidazol-4-yl)-2-oxoimidazolidine-4-carboxamide?
(4S)-N-[(2,4-dichlorophenyl)methyl]-3-methyl-1-(3-methylimidazol-4-yl)-2-oxoimidazolidine-4-carboxamide has a molecular weight of 382.25 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[(2,4-dichlorophenyl)methyl]-3-methyl-1-(3-methylimidazol-4-yl)-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 71450786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).