4-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-methylpyrrolidine-1-carbonyl]piperidine-1-carboximidamide

C17H28N6O — CID 118122110

IUPAC4-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-methylpyrrolidine-1-carbonyl]piperidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCC(C(=O)N2CC(C)CC2c2nc(C)c(C)[nH]2)CC1
InChIInChI=1S/C17H28N6O/c1-10-8-14(15-20-11(2)12(3)21-15)23(9-10)16(24)13-4-6-22(7-5-13)17(18)19/h10,13-14H,4-9H2,1-3H3,(H3,18,19)(H,20,21)
InChIKeyJLUANFDUKOLYKC-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.54
Rot. Bonds2

About 4-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-methylpyrrolidine-1-carbonyl]piperidine-1-carboximidamide

4-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-methylpyrrolidine-1-carbonyl]piperidine-1-carboximidamide (PubChem CID 118122110) has the molecular formula C17H28N6O and a molecular weight of 332.45 g/mol. Its IUPAC name is 4-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-methylpyrrolidine-1-carbonyl]piperidine-1-carboximidamide.

Molecular Properties

Compound Name4-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-methylpyrrolidine-1-carbonyl]piperidine-1-carboximidamide
PubChem CID118122110
Molecular FormulaC17H28N6O
Molecular Weight332.45 g/mol
Exact Mass332.23
IUPAC Name4-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-methylpyrrolidine-1-carbonyl]piperidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCC(C(=O)N2CC(C)CC2c2nc(C)c(C)[nH]2)CC1
InChIInChI=1S/C17H28N6O/c1-10-8-14(15-20-11(2)12(3)21-15)23(9-10)16(24)13-4-6-22(7-5-13)17(18)19/h10,13-14H,4-9H2,1-3H3,(H3,18,19)(H,20,21)
InChIKeyJLUANFDUKOLYKC-UHFFFAOYSA-N
XLogP1.54
TPSA102.10 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-{1-[(4-methyl-1H-imidazol-5-yl)methyl]piperidin-3-yl}pyrrolidin-2-one
CID 74231333
1-[2-(4,5-dimethyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-(2-methylcyclohexyl)ethanone
CID 136560403
2-methyl-1-[(3S)-3-[(1,4,5-trimethylimidazol-2-yl)methylamino]piperidin-1-yl]propan-1-one
CID 164633411
[4-(4,5-dimethyl-1H-imidazol-2-yl)piperidin-1-yl]-[(2S)-spiro[2.2]pentan-2-yl]methanone
CID 164639281
1'-[(2-ethyl-4-methyl-1H-imidazol-5-yl)methyl]-N-isopropyl-1,4'-bipiperidine-4-carboxamide
CID 29256294
N-[(1-ethyl-2-pyrrolidinyl)methyl]-3-{1-[(4-methyl-1H-imidazol-2-yl)methyl]-4-piperidinyl}propanamide
CID 45230558
N-({1-[(2-ethyl-4-methyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl}methyl)cyclohexanecarboxamide
CID 56706613
1-{1-[(2-Butyl-5-chloro-1H-imidazol-4-YL)methyl]piperidin-3-YL}pyrrolidin-2-one
CID 56866074
methyl N-[(2S)-1-[(2S,4R)-4-cyclopropyl-2-(4,5-dimethyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 58536818
N-[2-(4,5-dimethyl-2-piperidin-3-ylimidazol-1-yl)ethyl]acetamide
CID 66791491
methyl N-[(1S)-1-[(2S,4S)-2-(5-iodo-4-methyl-1H-imidazol-2-yl)-4-methyl-pyrrolidine-1-carbonyl]-2-methyl-propyl]carbamate
CID 67209030
5-methyl-4-[(2-oxo-4-propylpyrrolidin-1-yl)methyl]-1H-imidazole-2-carbonitrile
CID 71113075

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-methylpyrrolidine-1-carbonyl]piperidine-1-carboximidamide?
The IUPAC name of 4-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-methylpyrrolidine-1-carbonyl]piperidine-1-carboximidamide (CID 118122110) is 4-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-methylpyrrolidine-1-carbonyl]piperidine-1-carboximidamide.
What is the SMILES notation for 4-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-methylpyrrolidine-1-carbonyl]piperidine-1-carboximidamide?
The canonical SMILES for 4-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-methylpyrrolidine-1-carbonyl]piperidine-1-carboximidamide is [H]/N=C(\N)N1CCC(C(=O)N2CC(C)CC2c2nc(C)c(C)[nH]2)CC1.
What is the InChIKey of 4-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-methylpyrrolidine-1-carbonyl]piperidine-1-carboximidamide?
The InChIKey is JLUANFDUKOLYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N6O/c1-10-8-14(15-20-11(2)12(3)21-15)23(9-10)16(24)13-4-6-22(7-5-13)17(18)19/h10,13-14H,4-9H2,1-3H3,(H3,18,19)(H,20,21).
What are the key properties of 4-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-methylpyrrolidine-1-carbonyl]piperidine-1-carboximidamide?
4-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-methylpyrrolidine-1-carbonyl]piperidine-1-carboximidamide has a molecular weight of 332.45 g/mol, XLogP of 1.54, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-methylpyrrolidine-1-carbonyl]piperidine-1-carboximidamide is sourced from PubChem (CID 118122110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).