N-[3-bromo-2-(methoxymethyl)phenyl]imidazole-1-carboxamide

C12H12BrN3O2 — CID 81268306

IUPACN-[3-bromo-2-(methoxymethyl)phenyl]imidazole-1-carboxamide
SMILESCOCc1c(Br)cccc1NC(=O)n1ccnc1
InChIInChI=1S/C12H12BrN3O2/c1-18-7-9-10(13)3-2-4-11(9)15-12(17)16-6-5-14-8-16/h2-6,8H,7H2,1H3,(H,15,17)
InChIKeyNQTUHQMJWRXDCH-UHFFFAOYSA-N
MW310.15 g/mol
LogP2.87
Rot. Bonds3

About N-[3-bromo-2-(methoxymethyl)phenyl]imidazole-1-carboxamide

N-[3-bromo-2-(methoxymethyl)phenyl]imidazole-1-carboxamide (PubChem CID 81268306) has the molecular formula C12H12BrN3O2 and a molecular weight of 310.15 g/mol. Its IUPAC name is N-[3-bromo-2-(methoxymethyl)phenyl]imidazole-1-carboxamide.

Molecular Properties

Compound NameN-[3-bromo-2-(methoxymethyl)phenyl]imidazole-1-carboxamide
PubChem CID81268306
Molecular FormulaC12H12BrN3O2
Molecular Weight310.15 g/mol
Exact Mass309.01
IUPAC NameN-[3-bromo-2-(methoxymethyl)phenyl]imidazole-1-carboxamide
SMILESCOCc1c(Br)cccc1NC(=O)n1ccnc1
InChIInChI=1S/C12H12BrN3O2/c1-18-7-9-10(13)3-2-4-11(9)15-12(17)16-6-5-14-8-16/h2-6,8H,7H2,1H3,(H,15,17)
InChIKeyNQTUHQMJWRXDCH-UHFFFAOYSA-N
XLogP2.87
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.15
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-bromo-2-(methoxymethyl)phenyl]imidazole-1-carboxamide?
The IUPAC name of N-[3-bromo-2-(methoxymethyl)phenyl]imidazole-1-carboxamide (CID 81268306) is N-[3-bromo-2-(methoxymethyl)phenyl]imidazole-1-carboxamide.
What is the SMILES notation for N-[3-bromo-2-(methoxymethyl)phenyl]imidazole-1-carboxamide?
The canonical SMILES for N-[3-bromo-2-(methoxymethyl)phenyl]imidazole-1-carboxamide is COCc1c(Br)cccc1NC(=O)n1ccnc1.
What is the InChIKey of N-[3-bromo-2-(methoxymethyl)phenyl]imidazole-1-carboxamide?
The InChIKey is NQTUHQMJWRXDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O2/c1-18-7-9-10(13)3-2-4-11(9)15-12(17)16-6-5-14-8-16/h2-6,8H,7H2,1H3,(H,15,17).
What are the key properties of N-[3-bromo-2-(methoxymethyl)phenyl]imidazole-1-carboxamide?
N-[3-bromo-2-(methoxymethyl)phenyl]imidazole-1-carboxamide has a molecular weight of 310.15 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-bromo-2-(methoxymethyl)phenyl]imidazole-1-carboxamide is sourced from PubChem (CID 81268306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).