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

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

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Related Compounds

3-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 42513458
1-[2-(4,5-dimethyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-(2-methylcyclohexyl)ethanone
CID 136560403
1'-[(2-ethyl-4-methyl-1H-imidazol-5-yl)methyl]-N-isopropyl-1,4'-bipiperidine-4-carboxamide
CID 29256294
3-{1-[(2-ethyl-4-methyl-1H-imidazol-5-yl)methyl]-4-piperidinyl}-N-(2-methoxyethyl)propanamide
CID 26409103
3-{1-[(2-ethyl-4-methyl-1H-imidazol-5-yl)methyl]-4-piperidinyl}-N-(tetrahydro-2-furanylmethyl)propanamide
CID 45222581
1-tert-butyl-3-[[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]methyl]urea
CID 56749862
(4R)-4-[(cyclopentylcarbonyl)amino]-N,N-diethyl-1-[(4-methyl-1H-imidazol-5-yl)methyl]-L-prolinamide
CID 72928263
[(4aR,8aS)-6-[(5-methyl-1H-imidazol-4-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-1-yl]-cyclohexylmethanone
CID 126467235
1-[(4-iodo-1H-imidazol-5-yl)methyl]-4-propylpyrrolidin-2-one
CID 68090442
5-methyl-4-[(2-oxo-4-propylpyrrolidin-1-yl)methyl]-1H-imidazole-2-carbonitrile
CID 71113075
3-methyl-1-(2-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl)butan-1-one
CID 89981866
4-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-methylpyrrolidine-1-carbonyl]piperidine-1-carboximidamide
CID 118122110

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).