N,N-dimethyl-4-[(4-methylpyrrolidine-2-carbonyl)amino]-4,5-dihydro-1H-imidazole-5-carboxamide

C12H21N5O2 — CID 123808235

IUPACN,N-dimethyl-4-[(4-methylpyrrolidine-2-carbonyl)amino]-4,5-dihydro-1H-imidazole-5-carboxamide
SMILESCC1CNC(C(=O)NC2N=CNC2C(=O)N(C)C)C1
InChIInChI=1S/C12H21N5O2/c1-7-4-8(13-5-7)11(18)16-10-9(14-6-15-10)12(19)17(2)3/h6-10,13H,4-5H2,1-3H3,(H,14,15)(H,16,18)
InChIKeyHCLIEZRMEAGFRE-UHFFFAOYSA-N
MW267.33 g/mol
LogP-1.49
Rot. Bonds3

About N,N-dimethyl-4-[(4-methylpyrrolidine-2-carbonyl)amino]-4,5-dihydro-1H-imidazole-5-carboxamide

N,N-dimethyl-4-[(4-methylpyrrolidine-2-carbonyl)amino]-4,5-dihydro-1H-imidazole-5-carboxamide (PubChem CID 123808235) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is N,N-dimethyl-4-[(4-methylpyrrolidine-2-carbonyl)amino]-4,5-dihydro-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[(4-methylpyrrolidine-2-carbonyl)amino]-4,5-dihydro-1H-imidazole-5-carboxamide
PubChem CID123808235
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC NameN,N-dimethyl-4-[(4-methylpyrrolidine-2-carbonyl)amino]-4,5-dihydro-1H-imidazole-5-carboxamide
SMILESCC1CNC(C(=O)NC2N=CNC2C(=O)N(C)C)C1
InChIInChI=1S/C12H21N5O2/c1-7-4-8(13-5-7)11(18)16-10-9(14-6-15-10)12(19)17(2)3/h6-10,13H,4-5H2,1-3H3,(H,14,15)(H,16,18)
InChIKeyHCLIEZRMEAGFRE-UHFFFAOYSA-N
XLogP-1.49
TPSA85.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 5-1.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(4-methylpyrrolidine-2-carbonyl)amino]-4,5-dihydro-1H-imidazole-5-carboxamide?
The IUPAC name of N,N-dimethyl-4-[(4-methylpyrrolidine-2-carbonyl)amino]-4,5-dihydro-1H-imidazole-5-carboxamide (CID 123808235) is N,N-dimethyl-4-[(4-methylpyrrolidine-2-carbonyl)amino]-4,5-dihydro-1H-imidazole-5-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-[(4-methylpyrrolidine-2-carbonyl)amino]-4,5-dihydro-1H-imidazole-5-carboxamide?
The canonical SMILES for N,N-dimethyl-4-[(4-methylpyrrolidine-2-carbonyl)amino]-4,5-dihydro-1H-imidazole-5-carboxamide is CC1CNC(C(=O)NC2N=CNC2C(=O)N(C)C)C1.
What is the InChIKey of N,N-dimethyl-4-[(4-methylpyrrolidine-2-carbonyl)amino]-4,5-dihydro-1H-imidazole-5-carboxamide?
The InChIKey is HCLIEZRMEAGFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-7-4-8(13-5-7)11(18)16-10-9(14-6-15-10)12(19)17(2)3/h6-10,13H,4-5H2,1-3H3,(H,14,15)(H,16,18).
What are the key properties of N,N-dimethyl-4-[(4-methylpyrrolidine-2-carbonyl)amino]-4,5-dihydro-1H-imidazole-5-carboxamide?
N,N-dimethyl-4-[(4-methylpyrrolidine-2-carbonyl)amino]-4,5-dihydro-1H-imidazole-5-carboxamide has a molecular weight of 267.33 g/mol, XLogP of -1.49, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(4-methylpyrrolidine-2-carbonyl)amino]-4,5-dihydro-1H-imidazole-5-carboxamide is sourced from PubChem (CID 123808235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).