5-bromo-N-(1H-imidazol-2-ylmethyl)furan-3-carboxamide

C9H8BrN3O2 — CID 131107437

IUPAC5-bromo-N-(1H-imidazol-2-ylmethyl)furan-3-carboxamide
SMILESO=C(NCc1ncc[nH]1)c1coc(Br)c1
InChIInChI=1S/C9H8BrN3O2/c10-7-3-6(5-15-7)9(14)13-4-8-11-1-2-12-8/h1-3,5H,4H2,(H,11,12)(H,13,14)
InChIKeyKIHTWDQKWKCJAH-UHFFFAOYSA-N
MW270.09 g/mol
LogP1.70
Rot. Bonds3

About 5-bromo-N-(1H-imidazol-2-ylmethyl)furan-3-carboxamide

5-bromo-N-(1H-imidazol-2-ylmethyl)furan-3-carboxamide (PubChem CID 131107437) has the molecular formula C9H8BrN3O2 and a molecular weight of 270.09 g/mol. Its IUPAC name is 5-bromo-N-(1H-imidazol-2-ylmethyl)furan-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(1H-imidazol-2-ylmethyl)furan-3-carboxamide
PubChem CID131107437
Molecular FormulaC9H8BrN3O2
Molecular Weight270.09 g/mol
Exact Mass268.98
IUPAC Name5-bromo-N-(1H-imidazol-2-ylmethyl)furan-3-carboxamide
SMILESO=C(NCc1ncc[nH]1)c1coc(Br)c1
InChIInChI=1S/C9H8BrN3O2/c10-7-3-6(5-15-7)9(14)13-4-8-11-1-2-12-8/h1-3,5H,4H2,(H,11,12)(H,13,14)
InChIKeyKIHTWDQKWKCJAH-UHFFFAOYSA-N
XLogP1.70
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.09
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-imidazol-2-ylmethyl)pyrimidine-5-carboxamide
CID 104628370
N-[2-(1H-imidazol-2-yl)ethyl]-5-methylfuran-3-carboxamide
CID 114821905
4-amino-3,5-dichloro-N-(1H-imidazol-2-ylmethyl)benzamide
CID 82832444
N-(1H-imidazol-2-ylmethyl)-2-(methylamino)pyridine-4-carboxamide
CID 64523208
6-amino-N-(1H-imidazol-2-ylmethyl)pyridine-3-carboxamide
CID 64525972
5-bromo-N-(1H-imidazol-2-ylmethyl)-4-methylthiophene-2-carboxamide
CID 79965240
3-amino-4-chloro-N-(1H-imidazol-2-ylmethyl)benzamide
CID 64519520
3-(N'-hydroxycarbamimidoyl)-N-(1H-imidazol-2-ylmethyl)benzamide
CID 77046331
2-(1H-imidazol-2-ylmethylamino)-2-oxoacetic acid
CID 64524937
4-amino-3-chloro-N-(1H-imidazol-2-ylmethyl)-5-nitrobenzamide
CID 64525774
3,4-dichloro-N-(1H-imidazol-2-ylmethyl)-5-nitrobenzamide
CID 64532271
N-(2-amino-2-methylpropyl)-5-bromofuran-3-carboxamide
CID 119627230

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1H-imidazol-2-ylmethyl)furan-3-carboxamide?
The IUPAC name of 5-bromo-N-(1H-imidazol-2-ylmethyl)furan-3-carboxamide (CID 131107437) is 5-bromo-N-(1H-imidazol-2-ylmethyl)furan-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(1H-imidazol-2-ylmethyl)furan-3-carboxamide?
The canonical SMILES for 5-bromo-N-(1H-imidazol-2-ylmethyl)furan-3-carboxamide is O=C(NCc1ncc[nH]1)c1coc(Br)c1.
What is the InChIKey of 5-bromo-N-(1H-imidazol-2-ylmethyl)furan-3-carboxamide?
The InChIKey is KIHTWDQKWKCJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN3O2/c10-7-3-6(5-15-7)9(14)13-4-8-11-1-2-12-8/h1-3,5H,4H2,(H,11,12)(H,13,14).
What are the key properties of 5-bromo-N-(1H-imidazol-2-ylmethyl)furan-3-carboxamide?
5-bromo-N-(1H-imidazol-2-ylmethyl)furan-3-carboxamide has a molecular weight of 270.09 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1H-imidazol-2-ylmethyl)furan-3-carboxamide is sourced from PubChem (CID 131107437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).