3-bromo-N-(1H-imidazol-2-ylmethyl)-2,5-dimethoxy-N-methylbenzamide

C14H16BrN3O3 — CID 63939460

IUPAC3-bromo-N-(1H-imidazol-2-ylmethyl)-2,5-dimethoxy-N-methylbenzamide
SMILESCOc1cc(Br)c(OC)c(C(=O)N(C)Cc2ncc[nH]2)c1
InChIInChI=1S/C14H16BrN3O3/c1-18(8-12-16-4-5-17-12)14(19)10-6-9(20-2)7-11(15)13(10)21-3/h4-7H,8H2,1-3H3,(H,16,17)
InChIKeyMWIAAOOBFLJBRZ-UHFFFAOYSA-N
MW354.20 g/mol
LogP2.46
Rot. Bonds5

About 3-bromo-N-(1H-imidazol-2-ylmethyl)-2,5-dimethoxy-N-methylbenzamide

3-bromo-N-(1H-imidazol-2-ylmethyl)-2,5-dimethoxy-N-methylbenzamide (PubChem CID 63939460) has the molecular formula C14H16BrN3O3 and a molecular weight of 354.20 g/mol. Its IUPAC name is 3-bromo-N-(1H-imidazol-2-ylmethyl)-2,5-dimethoxy-N-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-(1H-imidazol-2-ylmethyl)-2,5-dimethoxy-N-methylbenzamide
PubChem CID63939460
Molecular FormulaC14H16BrN3O3
Molecular Weight354.20 g/mol
Exact Mass353.04
IUPAC Name3-bromo-N-(1H-imidazol-2-ylmethyl)-2,5-dimethoxy-N-methylbenzamide
SMILESCOc1cc(Br)c(OC)c(C(=O)N(C)Cc2ncc[nH]2)c1
InChIInChI=1S/C14H16BrN3O3/c1-18(8-12-16-4-5-17-12)14(19)10-6-9(20-2)7-11(15)13(10)21-3/h4-7H,8H2,1-3H3,(H,16,17)
InChIKeyMWIAAOOBFLJBRZ-UHFFFAOYSA-N
XLogP2.46
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.20
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-(1H-imidazol-2-ylmethyl)-4,5-dimethoxy-N-methylbenzamide
CID 63928489
3-bromo-N-[2-(diethylamino)-2-oxoethyl]-2,5-dimethoxy-N-methylbenzamide
CID 39948024
4,5-dibromo-N-(1H-imidazol-2-ylmethyl)-N-methylthiophene-2-carboxamide
CID 63928272
3-bromo-N-(1H-imidazol-2-ylmethyl)-N-methylthiophene-2-carboxamide
CID 63931220
N-(1H-imidazol-2-ylmethyl)-3,5-dimethoxy-N,4-dimethylbenzamide
CID 63929739
4-bromo-2-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide
CID 63940212
3-bromo-N-(2-hydroxy-2-methylpropyl)-2,5-dimethoxy-N-methylbenzamide
CID 79380613
N-(1H-imidazol-2-ylmethyl)-3-methoxy-N-methylthiophene-2-carboxamide
CID 78954717
5-bromo-N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(methylamino)pyridine-3-carboxamide
CID 64518925
N-(1H-imidazol-2-ylmethyl)-N-methylnaphthalene-1-carboxamide
CID 63928694
2-hydroxy-N-(1H-imidazol-2-ylmethyl)-N,5-dimethylbenzamide
CID 63929949
4-hydroxy-N-(1H-imidazol-2-ylmethyl)-N,2-dimethylbenzamide
CID 113341404

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(1H-imidazol-2-ylmethyl)-2,5-dimethoxy-N-methylbenzamide?
The IUPAC name of 3-bromo-N-(1H-imidazol-2-ylmethyl)-2,5-dimethoxy-N-methylbenzamide (CID 63939460) is 3-bromo-N-(1H-imidazol-2-ylmethyl)-2,5-dimethoxy-N-methylbenzamide.
What is the SMILES notation for 3-bromo-N-(1H-imidazol-2-ylmethyl)-2,5-dimethoxy-N-methylbenzamide?
The canonical SMILES for 3-bromo-N-(1H-imidazol-2-ylmethyl)-2,5-dimethoxy-N-methylbenzamide is COc1cc(Br)c(OC)c(C(=O)N(C)Cc2ncc[nH]2)c1.
What is the InChIKey of 3-bromo-N-(1H-imidazol-2-ylmethyl)-2,5-dimethoxy-N-methylbenzamide?
The InChIKey is MWIAAOOBFLJBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O3/c1-18(8-12-16-4-5-17-12)14(19)10-6-9(20-2)7-11(15)13(10)21-3/h4-7H,8H2,1-3H3,(H,16,17).
What are the key properties of 3-bromo-N-(1H-imidazol-2-ylmethyl)-2,5-dimethoxy-N-methylbenzamide?
3-bromo-N-(1H-imidazol-2-ylmethyl)-2,5-dimethoxy-N-methylbenzamide has a molecular weight of 354.20 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(1H-imidazol-2-ylmethyl)-2,5-dimethoxy-N-methylbenzamide is sourced from PubChem (CID 63939460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).