N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-5-methyl-1H-imidazole-4-carboxamide

C16H24N4O2 — CID 56885981

IUPACN-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-5-methyl-1H-imidazole-4-carboxamide
SMILESCc1[nH]cnc1C(=O)NC1CC(=O)N(CC2CCCCC2)C1
InChIInChI=1S/C16H24N4O2/c1-11-15(18-10-17-11)16(22)19-13-7-14(21)20(9-13)8-12-5-3-2-4-6-12/h10,12-13H,2-9H2,1H3,(H,17,18)(H,19,22)
InChIKeyPMOIOBQAQWBKOI-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.63
Rot. Bonds4

About N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-5-methyl-1H-imidazole-4-carboxamide

N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-5-methyl-1H-imidazole-4-carboxamide (PubChem CID 56885981) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-5-methyl-1H-imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-5-methyl-1H-imidazole-4-carboxamide
PubChem CID56885981
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC NameN-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-5-methyl-1H-imidazole-4-carboxamide
SMILESCc1[nH]cnc1C(=O)NC1CC(=O)N(CC2CCCCC2)C1
InChIInChI=1S/C16H24N4O2/c1-11-15(18-10-17-11)16(22)19-13-7-14(21)20(9-13)8-12-5-3-2-4-6-12/h10,12-13H,2-9H2,1H3,(H,17,18)(H,19,22)
InChIKeyPMOIOBQAQWBKOI-UHFFFAOYSA-N
XLogP1.63
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-5-methyl-1H-imidazole-4-carboxamide?
The IUPAC name of N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-5-methyl-1H-imidazole-4-carboxamide (CID 56885981) is N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-5-methyl-1H-imidazole-4-carboxamide.
What is the SMILES notation for N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-5-methyl-1H-imidazole-4-carboxamide?
The canonical SMILES for N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-5-methyl-1H-imidazole-4-carboxamide is Cc1[nH]cnc1C(=O)NC1CC(=O)N(CC2CCCCC2)C1.
What is the InChIKey of N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-5-methyl-1H-imidazole-4-carboxamide?
The InChIKey is PMOIOBQAQWBKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-11-15(18-10-17-11)16(22)19-13-7-14(21)20(9-13)8-12-5-3-2-4-6-12/h10,12-13H,2-9H2,1H3,(H,17,18)(H,19,22).
What are the key properties of N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-5-methyl-1H-imidazole-4-carboxamide?
N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-5-methyl-1H-imidazole-4-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-5-methyl-1H-imidazole-4-carboxamide is sourced from PubChem (CID 56885981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).