N-[[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]pyrrolidin-3-yl]methyl]cyclohexanecarboxamide

C19H32N4O — CID 56706613

IUPACN-[[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]pyrrolidin-3-yl]methyl]cyclohexanecarboxamide
SMILESCCc1nc(CN2CCC(CNC(=O)C3CCCCC3)C2)c(C)[nH]1
InChIInChI=1S/C19H32N4O/c1-3-18-21-14(2)17(22-18)13-23-10-9-15(12-23)11-20-19(24)16-7-5-4-6-8-16/h15-16H,3-13H2,1-2H3,(H,20,24)(H,21,22)
InChIKeyJLWZMWNZMKPJEH-UHFFFAOYSA-N
MW332.49 g/mol
LogP2.80
Rot. Bonds6

About N-[[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]pyrrolidin-3-yl]methyl]cyclohexanecarboxamide

N-[[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]pyrrolidin-3-yl]methyl]cyclohexanecarboxamide (PubChem CID 56706613) has the molecular formula C19H32N4O and a molecular weight of 332.49 g/mol. Its IUPAC name is N-[[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]pyrrolidin-3-yl]methyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]pyrrolidin-3-yl]methyl]cyclohexanecarboxamide
PubChem CID56706613
Molecular FormulaC19H32N4O
Molecular Weight332.49 g/mol
Exact Mass332.26
IUPAC NameN-[[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]pyrrolidin-3-yl]methyl]cyclohexanecarboxamide
SMILESCCc1nc(CN2CCC(CNC(=O)C3CCCCC3)C2)c(C)[nH]1
InChIInChI=1S/C19H32N4O/c1-3-18-21-14(2)17(22-18)13-23-10-9-15(12-23)11-20-19(24)16-7-5-4-6-8-16/h15-16H,3-13H2,1-2H3,(H,20,24)(H,21,22)
InChIKeyJLWZMWNZMKPJEH-UHFFFAOYSA-N
XLogP2.80
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]pyrrolidin-3-yl]methyl]cyclohexanecarboxamide?
The IUPAC name of N-[[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]pyrrolidin-3-yl]methyl]cyclohexanecarboxamide (CID 56706613) is N-[[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]pyrrolidin-3-yl]methyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]pyrrolidin-3-yl]methyl]cyclohexanecarboxamide?
The canonical SMILES for N-[[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]pyrrolidin-3-yl]methyl]cyclohexanecarboxamide is CCc1nc(CN2CCC(CNC(=O)C3CCCCC3)C2)c(C)[nH]1.
What is the InChIKey of N-[[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]pyrrolidin-3-yl]methyl]cyclohexanecarboxamide?
The InChIKey is JLWZMWNZMKPJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O/c1-3-18-21-14(2)17(22-18)13-23-10-9-15(12-23)11-20-19(24)16-7-5-4-6-8-16/h15-16H,3-13H2,1-2H3,(H,20,24)(H,21,22).
What are the key properties of N-[[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]pyrrolidin-3-yl]methyl]cyclohexanecarboxamide?
N-[[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]pyrrolidin-3-yl]methyl]cyclohexanecarboxamide has a molecular weight of 332.49 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]pyrrolidin-3-yl]methyl]cyclohexanecarboxamide is sourced from PubChem (CID 56706613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).