[4-(aminomethyl)cyclohexyl]-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-methylpyrrolidin-1-yl]methanone

C18H30N4O — CID 118122140

IUPAC[4-(aminomethyl)cyclohexyl]-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-methylpyrrolidin-1-yl]methanone
SMILESCc1nc(C2CC(C)CN2C(=O)C2CCC(CN)CC2)[nH]c1C
InChIInChI=1S/C18H30N4O/c1-11-8-16(17-20-12(2)13(3)21-17)22(10-11)18(23)15-6-4-14(9-19)5-7-15/h11,14-16H,4-10,19H2,1-3H3,(H,20,21)
InChIKeyUTJOKKABTVFMNZ-UHFFFAOYSA-N
MW318.47 g/mol
LogP2.70
Rot. Bonds3

About [4-(aminomethyl)cyclohexyl]-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-methylpyrrolidin-1-yl]methanone

[4-(aminomethyl)cyclohexyl]-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-methylpyrrolidin-1-yl]methanone (PubChem CID 118122140) has the molecular formula C18H30N4O and a molecular weight of 318.47 g/mol. Its IUPAC name is [4-(aminomethyl)cyclohexyl]-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-methylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(aminomethyl)cyclohexyl]-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-methylpyrrolidin-1-yl]methanone
PubChem CID118122140
Molecular FormulaC18H30N4O
Molecular Weight318.47 g/mol
Exact Mass318.24
IUPAC Name[4-(aminomethyl)cyclohexyl]-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-methylpyrrolidin-1-yl]methanone
SMILESCc1nc(C2CC(C)CN2C(=O)C2CCC(CN)CC2)[nH]c1C
InChIInChI=1S/C18H30N4O/c1-11-8-16(17-20-12(2)13(3)21-17)22(10-11)18(23)15-6-4-14(9-19)5-7-15/h11,14-16H,4-10,19H2,1-3H3,(H,20,21)
InChIKeyUTJOKKABTVFMNZ-UHFFFAOYSA-N
XLogP2.70
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [4-(aminomethyl)cyclohexyl]-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-methylpyrrolidin-1-yl]methanone with MolForge

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Related Compounds

1-[2-(4,5-dimethyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-(2-methylcyclohexyl)ethanone
CID 136560403
N-({1-[(2-ethyl-4-methyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl}methyl)cyclohexanecarboxamide
CID 56706613
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
5-methyl-4-[(2-oxo-4-propylpyrrolidin-1-yl)methyl]-1H-imidazole-2-carbonitrile
CID 71113075
1-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-methylpyrrolidin-1-yl]ethanone
CID 118122053
4-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-methylpyrrolidine-1-carbonyl]piperidine-1-carboximidamide
CID 118122110
1-[(2S,4S)-2-(4,5-dimethyl-1H-imidazol-2-yl)-4-methylpyrrolidin-1-yl]ethanone
CID 118122112
methyl N-[1-[2-(4,5-dimethyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 123716262
methyl N-[1-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 123886720
(3S)-1-[(2S)-1-[4-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one
CID 138685502
(3S)-1-[1-[4-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one
CID 138685503
1-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-methylpyrrolidin-1-yl]ethanone;ethanamine;ethane;methane
CID 157606163

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)cyclohexyl]-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-methylpyrrolidin-1-yl]methanone?
The IUPAC name of [4-(aminomethyl)cyclohexyl]-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-methylpyrrolidin-1-yl]methanone (CID 118122140) is [4-(aminomethyl)cyclohexyl]-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-methylpyrrolidin-1-yl]methanone.
What is the SMILES notation for [4-(aminomethyl)cyclohexyl]-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-methylpyrrolidin-1-yl]methanone?
The canonical SMILES for [4-(aminomethyl)cyclohexyl]-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-methylpyrrolidin-1-yl]methanone is Cc1nc(C2CC(C)CN2C(=O)C2CCC(CN)CC2)[nH]c1C.
What is the InChIKey of [4-(aminomethyl)cyclohexyl]-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-methylpyrrolidin-1-yl]methanone?
The InChIKey is UTJOKKABTVFMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O/c1-11-8-16(17-20-12(2)13(3)21-17)22(10-11)18(23)15-6-4-14(9-19)5-7-15/h11,14-16H,4-10,19H2,1-3H3,(H,20,21).
What are the key properties of [4-(aminomethyl)cyclohexyl]-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-methylpyrrolidin-1-yl]methanone?
[4-(aminomethyl)cyclohexyl]-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-methylpyrrolidin-1-yl]methanone has a molecular weight of 318.47 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)cyclohexyl]-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-methylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 118122140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).