N,N-dipentyl-1H-imidazole-5-carboxamide

C14H25N3O — CID 25129631

IUPACN,N-dipentyl-1H-imidazole-5-carboxamide
SMILESCCCCCN(CCCCC)C(=O)c1cnc[nH]1
InChIInChI=1S/C14H25N3O/c1-3-5-7-9-17(10-8-6-4-2)14(18)13-11-15-12-16-13/h11-12H,3-10H2,1-2H3,(H,15,16)
InChIKeyYJHSGUDICAPDMX-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.23
Rot. Bonds9

About N,N-dipentyl-1H-imidazole-5-carboxamide

N,N-dipentyl-1H-imidazole-5-carboxamide (PubChem CID 25129631) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N,N-dipentyl-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN,N-dipentyl-1H-imidazole-5-carboxamide
PubChem CID25129631
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN,N-dipentyl-1H-imidazole-5-carboxamide
SMILESCCCCCN(CCCCC)C(=O)c1cnc[nH]1
InChIInChI=1S/C14H25N3O/c1-3-5-7-9-17(10-8-6-4-2)14(18)13-11-15-12-16-13/h11-12H,3-10H2,1-2H3,(H,15,16)
InChIKeyYJHSGUDICAPDMX-UHFFFAOYSA-N
XLogP3.23
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N,N-dipentyl-1H-imidazole-5-carboxamide?
The IUPAC name of N,N-dipentyl-1H-imidazole-5-carboxamide (CID 25129631) is N,N-dipentyl-1H-imidazole-5-carboxamide.
What is the SMILES notation for N,N-dipentyl-1H-imidazole-5-carboxamide?
The canonical SMILES for N,N-dipentyl-1H-imidazole-5-carboxamide is CCCCCN(CCCCC)C(=O)c1cnc[nH]1.
What is the InChIKey of N,N-dipentyl-1H-imidazole-5-carboxamide?
The InChIKey is YJHSGUDICAPDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-3-5-7-9-17(10-8-6-4-2)14(18)13-11-15-12-16-13/h11-12H,3-10H2,1-2H3,(H,15,16).
What are the key properties of N,N-dipentyl-1H-imidazole-5-carboxamide?
N,N-dipentyl-1H-imidazole-5-carboxamide has a molecular weight of 251.37 g/mol, XLogP of 3.23, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dipentyl-1H-imidazole-5-carboxamide is sourced from PubChem (CID 25129631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).