N-(3-bromopropyl)-N-ethyl-3-methylimidazole-4-carboxamide

C10H16BrN3O — CID 103512194

IUPACN-(3-bromopropyl)-N-ethyl-3-methylimidazole-4-carboxamide
SMILESCCN(CCCBr)C(=O)c1cncn1C
InChIInChI=1S/C10H16BrN3O/c1-3-14(6-4-5-11)10(15)9-7-12-8-13(9)2/h7-8H,3-6H2,1-2H3
InChIKeyBVEJZNAOWSPMOZ-UHFFFAOYSA-N
MW274.16 g/mol
LogP1.67
Rot. Bonds5

About N-(3-bromopropyl)-N-ethyl-3-methylimidazole-4-carboxamide

N-(3-bromopropyl)-N-ethyl-3-methylimidazole-4-carboxamide (PubChem CID 103512194) has the molecular formula C10H16BrN3O and a molecular weight of 274.16 g/mol. Its IUPAC name is N-(3-bromopropyl)-N-ethyl-3-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-bromopropyl)-N-ethyl-3-methylimidazole-4-carboxamide
PubChem CID103512194
Molecular FormulaC10H16BrN3O
Molecular Weight274.16 g/mol
Exact Mass273.05
IUPAC NameN-(3-bromopropyl)-N-ethyl-3-methylimidazole-4-carboxamide
SMILESCCN(CCCBr)C(=O)c1cncn1C
InChIInChI=1S/C10H16BrN3O/c1-3-14(6-4-5-11)10(15)9-7-12-8-13(9)2/h7-8H,3-6H2,1-2H3
InChIKeyBVEJZNAOWSPMOZ-UHFFFAOYSA-N
XLogP1.67
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-(3-hydroxypropyl)-3-methylimidazole-4-carboxamide
CID 103511391
N-ethyl-3-methyl-N-(2-pyrazol-1-ylethyl)imidazole-4-carboxamide
CID 131925005
N,N-bis(2-chloroethyl)-3-methylimidazole-4-carboxamide
CID 103511157
N-(cyanomethyl)-N-ethyl-3-methylimidazole-4-carboxamide
CID 103510922
2-[methyl-(3-methylimidazole-4-carbonyl)amino]butanoic acid
CID 103510505
N-ethyl-3-methyl-N-phenylimidazole-4-carboxamide
CID 42789423
N-(2-bromoethyl)-N,3-diethyl-1-methylpyrazole-5-carboxamide
CID 80661046
3-methyl-N-propylimidazole-4-carboxamide
CID 23552392
N-[(4-bromo-2,6-difluorophenyl)methyl]-3-methyl-N-prop-2-ynylimidazole-4-carboxamide
CID 146216760
N-(2-hydroxyethyl)-3-methyl-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide
CID 131918159
N-(2-aminophenyl)-N-ethyl-3-methylimidazole-4-carboxamide
CID 103510324
N-[(2-bromophenyl)methyl]-N,3-dimethylimidazole-4-carboxamide
CID 103511075

Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)-N-ethyl-3-methylimidazole-4-carboxamide?
The IUPAC name of N-(3-bromopropyl)-N-ethyl-3-methylimidazole-4-carboxamide (CID 103512194) is N-(3-bromopropyl)-N-ethyl-3-methylimidazole-4-carboxamide.
What is the SMILES notation for N-(3-bromopropyl)-N-ethyl-3-methylimidazole-4-carboxamide?
The canonical SMILES for N-(3-bromopropyl)-N-ethyl-3-methylimidazole-4-carboxamide is CCN(CCCBr)C(=O)c1cncn1C.
What is the InChIKey of N-(3-bromopropyl)-N-ethyl-3-methylimidazole-4-carboxamide?
The InChIKey is BVEJZNAOWSPMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O/c1-3-14(6-4-5-11)10(15)9-7-12-8-13(9)2/h7-8H,3-6H2,1-2H3.
What are the key properties of N-(3-bromopropyl)-N-ethyl-3-methylimidazole-4-carboxamide?
N-(3-bromopropyl)-N-ethyl-3-methylimidazole-4-carboxamide has a molecular weight of 274.16 g/mol, XLogP of 1.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)-N-ethyl-3-methylimidazole-4-carboxamide is sourced from PubChem (CID 103512194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).