3,5-dibromo-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]benzamide

C15H15Br2N3O — CID 103907950

IUPAC3,5-dibromo-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
SMILESCn1ccnc1CN(C(=O)c1cc(Br)cc(Br)c1)C1CC1
InChIInChI=1S/C15H15Br2N3O/c1-19-5-4-18-14(19)9-20(13-2-3-13)15(21)10-6-11(16)8-12(17)7-10/h4-8,13H,2-3,9H2,1H3
InChIKeyXQBPRMWDFSPKLI-UHFFFAOYSA-N
MW413.11 g/mol
LogP3.75
Rot. Bonds4

About 3,5-dibromo-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]benzamide

3,5-dibromo-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]benzamide (PubChem CID 103907950) has the molecular formula C15H15Br2N3O and a molecular weight of 413.11 g/mol. Its IUPAC name is 3,5-dibromo-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3,5-dibromo-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
PubChem CID103907950
Molecular FormulaC15H15Br2N3O
Molecular Weight413.11 g/mol
Exact Mass410.96
IUPAC Name3,5-dibromo-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
SMILESCn1ccnc1CN(C(=O)c1cc(Br)cc(Br)c1)C1CC1
InChIInChI=1S/C15H15Br2N3O/c1-19-5-4-18-14(19)9-20(13-2-3-13)15(21)10-6-11(16)8-12(17)7-10/h4-8,13H,2-3,9H2,1H3
InChIKeyXQBPRMWDFSPKLI-UHFFFAOYSA-N
XLogP3.75
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.11
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-5-methyl-N-[(1-methylimidazol-2-yl)methyl]-1,2-oxazole-3-carboxamide
CID 3710721
3-amino-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 60946346
3-amino-N-cyclopropyl-4-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 60946703
N-cyclopropyl-6-fluoro-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 63977624
6-chloro-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]pyridazine-3-carboxamide
CID 61051446
3-bromo-N-cyclopropyl-2-fluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 106545014
2-bromo-N-cyclopropyl-6-fluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 114559517
2-amino-N-cyclopropyl-2-ethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide
CID 79813594
2-amino-N-cyclopropyl-3-ethyl-N-[(1-methylimidazol-2-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 70758986
N-cyclohexyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-2-carboxamide
CID 42796220
N-cyclopropyl-3,5-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrazole-4-carboxamide
CID 60959154
4-chloro-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 81226426

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]benzamide?
The IUPAC name of 3,5-dibromo-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]benzamide (CID 103907950) is 3,5-dibromo-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]benzamide.
What is the SMILES notation for 3,5-dibromo-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]benzamide?
The canonical SMILES for 3,5-dibromo-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]benzamide is Cn1ccnc1CN(C(=O)c1cc(Br)cc(Br)c1)C1CC1.
What is the InChIKey of 3,5-dibromo-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]benzamide?
The InChIKey is XQBPRMWDFSPKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br2N3O/c1-19-5-4-18-14(19)9-20(13-2-3-13)15(21)10-6-11(16)8-12(17)7-10/h4-8,13H,2-3,9H2,1H3.
What are the key properties of 3,5-dibromo-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]benzamide?
3,5-dibromo-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]benzamide has a molecular weight of 413.11 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]benzamide is sourced from PubChem (CID 103907950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).