2-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide

C9H14BrN3O — CID 107904600

IUPAC2-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
SMILESCC(Br)C(=O)N(C)Cc1nccn1C
InChIInChI=1S/C9H14BrN3O/c1-7(10)9(14)13(3)6-8-11-4-5-12(8)2/h4-5,7H,6H2,1-3H3
InChIKeyVFGUSAXHMQNMLK-UHFFFAOYSA-N
MW260.13 g/mol
LogP1.16
Rot. Bonds3

About 2-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide

2-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide (PubChem CID 107904600) has the molecular formula C9H14BrN3O and a molecular weight of 260.13 g/mol. Its IUPAC name is 2-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide.

Molecular Properties

Compound Name2-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
PubChem CID107904600
Molecular FormulaC9H14BrN3O
Molecular Weight260.13 g/mol
Exact Mass259.03
IUPAC Name2-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
SMILESCC(Br)C(=O)N(C)Cc1nccn1C
InChIInChI=1S/C9H14BrN3O/c1-7(10)9(14)13(3)6-8-11-4-5-12(8)2/h4-5,7H,6H2,1-3H3
InChIKeyVFGUSAXHMQNMLK-UHFFFAOYSA-N
XLogP1.16
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 51.16
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

2-(aminomethyl)-N,4,4-trimethyl-N-[(1-methylimidazol-2-yl)methyl]pentanamide
CID 107471639
2-chloro-N-[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]propanamide
CID 63026922
(2R)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-(5-phenyltetrazol-2-yl)propanamide
CID 96561738
(Z)-2,3-dimethyl-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-4-oxobut-2-enoic acid
CID 63270410
3-hydroxy-2-[[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]amino]butanoic acid
CID 63026905
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980175
(2R)-4-methyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]amino]pentanoic acid
CID 78923453
5-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrazine-2-carboxamide
CID 113383759
2-hydroxy-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-[2-(trifluoromethyl)phenyl]acetamide
CID 155954257
4-[[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]-propan-2-ylamino]butanoic acid
CID 63026911
2-[(1-methylimidazol-2-yl)methyl-propan-2-ylamino]acetic acid
CID 60840145
3-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide
CID 60778085

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide?
The IUPAC name of 2-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide (CID 107904600) is 2-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide.
What is the SMILES notation for 2-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide?
The canonical SMILES for 2-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide is CC(Br)C(=O)N(C)Cc1nccn1C.
What is the InChIKey of 2-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide?
The InChIKey is VFGUSAXHMQNMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3O/c1-7(10)9(14)13(3)6-8-11-4-5-12(8)2/h4-5,7H,6H2,1-3H3.
What are the key properties of 2-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide?
2-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide has a molecular weight of 260.13 g/mol, XLogP of 1.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide is sourced from PubChem (CID 107904600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).