N-[(1S,2S,4S)-2-hydroxy-4-[2-(3-methyl-2-oxoimidazolidin-1-yl)ethylcarbamoyl]cyclopentyl]-1H-imidazole-5-carboxamide

C16H24N6O4 — CID 162629001

IUPACN-[(1S,2S,4S)-2-hydroxy-4-[2-(3-methyl-2-oxoimidazolidin-1-yl)ethylcarbamoyl]cyclopentyl]-1H-imidazole-5-carboxamide
SMILESCN1CCN(CCNC(=O)[C@H]2C[C@H](NC(=O)c3cnc[nH]3)[C@@H](O)C2)C1=O
InChIInChI=1S/C16H24N6O4/c1-21-4-5-22(16(21)26)3-2-18-14(24)10-6-11(13(23)7-10)20-15(25)12-8-17-9-19-12/h8-11,13,23H,2-7H2,1H3,(H,17,19)(H,18,24)(H,20,25)/t10-,11-,13-/m0/s1
InChIKeyLRLRHJACEDOTNG-GVXVVHGQSA-N
MW364.41 g/mol
LogP-1.24
Rot. Bonds6

About N-[(1S,2S,4S)-2-hydroxy-4-[2-(3-methyl-2-oxoimidazolidin-1-yl)ethylcarbamoyl]cyclopentyl]-1H-imidazole-5-carboxamide

N-[(1S,2S,4S)-2-hydroxy-4-[2-(3-methyl-2-oxoimidazolidin-1-yl)ethylcarbamoyl]cyclopentyl]-1H-imidazole-5-carboxamide (PubChem CID 162629001) has the molecular formula C16H24N6O4 and a molecular weight of 364.41 g/mol. Its IUPAC name is N-[(1S,2S,4S)-2-hydroxy-4-[2-(3-methyl-2-oxoimidazolidin-1-yl)ethylcarbamoyl]cyclopentyl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S,4S)-2-hydroxy-4-[2-(3-methyl-2-oxoimidazolidin-1-yl)ethylcarbamoyl]cyclopentyl]-1H-imidazole-5-carboxamide
PubChem CID162629001
Molecular FormulaC16H24N6O4
Molecular Weight364.41 g/mol
Exact Mass364.19
IUPAC NameN-[(1S,2S,4S)-2-hydroxy-4-[2-(3-methyl-2-oxoimidazolidin-1-yl)ethylcarbamoyl]cyclopentyl]-1H-imidazole-5-carboxamide
SMILESCN1CCN(CCNC(=O)[C@H]2C[C@H](NC(=O)c3cnc[nH]3)[C@@H](O)C2)C1=O
InChIInChI=1S/C16H24N6O4/c1-21-4-5-22(16(21)26)3-2-18-14(24)10-6-11(13(23)7-10)20-15(25)12-8-17-9-19-12/h8-11,13,23H,2-7H2,1H3,(H,17,19)(H,18,24)(H,20,25)/t10-,11-,13-/m0/s1
InChIKeyLRLRHJACEDOTNG-GVXVVHGQSA-N
XLogP-1.24
TPSA130.66 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 5-1.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S,4S)-2-hydroxy-4-[2-(3-methyl-2-oxoimidazolidin-1-yl)ethylcarbamoyl]cyclopentyl]-1H-imidazole-5-carboxamide?
The IUPAC name of N-[(1S,2S,4S)-2-hydroxy-4-[2-(3-methyl-2-oxoimidazolidin-1-yl)ethylcarbamoyl]cyclopentyl]-1H-imidazole-5-carboxamide (CID 162629001) is N-[(1S,2S,4S)-2-hydroxy-4-[2-(3-methyl-2-oxoimidazolidin-1-yl)ethylcarbamoyl]cyclopentyl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[(1S,2S,4S)-2-hydroxy-4-[2-(3-methyl-2-oxoimidazolidin-1-yl)ethylcarbamoyl]cyclopentyl]-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[(1S,2S,4S)-2-hydroxy-4-[2-(3-methyl-2-oxoimidazolidin-1-yl)ethylcarbamoyl]cyclopentyl]-1H-imidazole-5-carboxamide is CN1CCN(CCNC(=O)[C@H]2C[C@H](NC(=O)c3cnc[nH]3)[C@@H](O)C2)C1=O.
What is the InChIKey of N-[(1S,2S,4S)-2-hydroxy-4-[2-(3-methyl-2-oxoimidazolidin-1-yl)ethylcarbamoyl]cyclopentyl]-1H-imidazole-5-carboxamide?
The InChIKey is LRLRHJACEDOTNG-GVXVVHGQSA-N. The full InChI is InChI=1S/C16H24N6O4/c1-21-4-5-22(16(21)26)3-2-18-14(24)10-6-11(13(23)7-10)20-15(25)12-8-17-9-19-12/h8-11,13,23H,2-7H2,1H3,(H,17,19)(H,18,24)(H,20,25)/t10-,11-,13-/m0/s1.
What are the key properties of N-[(1S,2S,4S)-2-hydroxy-4-[2-(3-methyl-2-oxoimidazolidin-1-yl)ethylcarbamoyl]cyclopentyl]-1H-imidazole-5-carboxamide?
N-[(1S,2S,4S)-2-hydroxy-4-[2-(3-methyl-2-oxoimidazolidin-1-yl)ethylcarbamoyl]cyclopentyl]-1H-imidazole-5-carboxamide has a molecular weight of 364.41 g/mol, XLogP of -1.24, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S,4S)-2-hydroxy-4-[2-(3-methyl-2-oxoimidazolidin-1-yl)ethylcarbamoyl]cyclopentyl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 162629001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).