2,5-dimethyl-1-(1-methylpiperidin-4-yl)-N-(3-pyrrolidin-1-ylpropyl)imidazole-4-carboxamide

C19H33N5O — CID 53181563

IUPAC2,5-dimethyl-1-(1-methylpiperidin-4-yl)-N-(3-pyrrolidin-1-ylpropyl)imidazole-4-carboxamide
SMILESCc1nc(C(=O)NCCCN2CCCC2)c(C)n1C1CCN(C)CC1
InChIInChI=1S/C19H33N5O/c1-15-18(19(25)20-9-6-12-23-10-4-5-11-23)21-16(2)24(15)17-7-13-22(3)14-8-17/h17H,4-14H2,1-3H3,(H,20,25)
InChIKeyNJIUOFXTPKXTNE-UHFFFAOYSA-N
MW347.51 g/mol
LogP1.98
Rot. Bonds6

About 2,5-dimethyl-1-(1-methylpiperidin-4-yl)-N-(3-pyrrolidin-1-ylpropyl)imidazole-4-carboxamide

2,5-dimethyl-1-(1-methylpiperidin-4-yl)-N-(3-pyrrolidin-1-ylpropyl)imidazole-4-carboxamide (PubChem CID 53181563) has the molecular formula C19H33N5O and a molecular weight of 347.51 g/mol. Its IUPAC name is 2,5-dimethyl-1-(1-methylpiperidin-4-yl)-N-(3-pyrrolidin-1-ylpropyl)imidazole-4-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-1-(1-methylpiperidin-4-yl)-N-(3-pyrrolidin-1-ylpropyl)imidazole-4-carboxamide
PubChem CID53181563
Molecular FormulaC19H33N5O
Molecular Weight347.51 g/mol
Exact Mass347.27
IUPAC Name2,5-dimethyl-1-(1-methylpiperidin-4-yl)-N-(3-pyrrolidin-1-ylpropyl)imidazole-4-carboxamide
SMILESCc1nc(C(=O)NCCCN2CCCC2)c(C)n1C1CCN(C)CC1
InChIInChI=1S/C19H33N5O/c1-15-18(19(25)20-9-6-12-23-10-4-5-11-23)21-16(2)24(15)17-7-13-22(3)14-8-17/h17H,4-14H2,1-3H3,(H,20,25)
InChIKeyNJIUOFXTPKXTNE-UHFFFAOYSA-N
XLogP1.98
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.51
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-(1-methylpiperidin-4-yl)-N-(3-pyrrolidin-1-ylpropyl)imidazole-4-carboxamide?
The IUPAC name of 2,5-dimethyl-1-(1-methylpiperidin-4-yl)-N-(3-pyrrolidin-1-ylpropyl)imidazole-4-carboxamide (CID 53181563) is 2,5-dimethyl-1-(1-methylpiperidin-4-yl)-N-(3-pyrrolidin-1-ylpropyl)imidazole-4-carboxamide.
What is the SMILES notation for 2,5-dimethyl-1-(1-methylpiperidin-4-yl)-N-(3-pyrrolidin-1-ylpropyl)imidazole-4-carboxamide?
The canonical SMILES for 2,5-dimethyl-1-(1-methylpiperidin-4-yl)-N-(3-pyrrolidin-1-ylpropyl)imidazole-4-carboxamide is Cc1nc(C(=O)NCCCN2CCCC2)c(C)n1C1CCN(C)CC1.
What is the InChIKey of 2,5-dimethyl-1-(1-methylpiperidin-4-yl)-N-(3-pyrrolidin-1-ylpropyl)imidazole-4-carboxamide?
The InChIKey is NJIUOFXTPKXTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O/c1-15-18(19(25)20-9-6-12-23-10-4-5-11-23)21-16(2)24(15)17-7-13-22(3)14-8-17/h17H,4-14H2,1-3H3,(H,20,25).
What are the key properties of 2,5-dimethyl-1-(1-methylpiperidin-4-yl)-N-(3-pyrrolidin-1-ylpropyl)imidazole-4-carboxamide?
2,5-dimethyl-1-(1-methylpiperidin-4-yl)-N-(3-pyrrolidin-1-ylpropyl)imidazole-4-carboxamide has a molecular weight of 347.51 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-(1-methylpiperidin-4-yl)-N-(3-pyrrolidin-1-ylpropyl)imidazole-4-carboxamide is sourced from PubChem (CID 53181563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).