N-(1H-benzimidazol-2-ylmethyl)-5-[(4-bromophenoxy)methyl]-N-methylfuran-2-carboxamide

C21H18BrN3O3 — CID 55824074

IUPACN-(1H-benzimidazol-2-ylmethyl)-5-[(4-bromophenoxy)methyl]-N-methylfuran-2-carboxamide
SMILESCN(Cc1nc2ccccc2[nH]1)C(=O)c1ccc(COc2ccc(Br)cc2)o1
InChIInChI=1S/C21H18BrN3O3/c1-25(12-20-23-17-4-2-3-5-18(17)24-20)21(26)19-11-10-16(28-19)13-27-15-8-6-14(22)7-9-15/h2-11H,12-13H2,1H3,(H,23,24)
InChIKeyWSWQBYYQIUVCHX-UHFFFAOYSA-N
MW440.30 g/mol
LogP4.77
Rot. Bonds6

About N-(1H-benzimidazol-2-ylmethyl)-5-[(4-bromophenoxy)methyl]-N-methylfuran-2-carboxamide

N-(1H-benzimidazol-2-ylmethyl)-5-[(4-bromophenoxy)methyl]-N-methylfuran-2-carboxamide (PubChem CID 55824074) has the molecular formula C21H18BrN3O3 and a molecular weight of 440.30 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-5-[(4-bromophenoxy)methyl]-N-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-5-[(4-bromophenoxy)methyl]-N-methylfuran-2-carboxamide
PubChem CID55824074
Molecular FormulaC21H18BrN3O3
Molecular Weight440.30 g/mol
Exact Mass439.05
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-5-[(4-bromophenoxy)methyl]-N-methylfuran-2-carboxamide
SMILESCN(Cc1nc2ccccc2[nH]1)C(=O)c1ccc(COc2ccc(Br)cc2)o1
InChIInChI=1S/C21H18BrN3O3/c1-25(12-20-23-17-4-2-3-5-18(17)24-20)21(26)19-11-10-16(28-19)13-27-15-8-6-14(22)7-9-15/h2-11H,12-13H2,1H3,(H,23,24)
InChIKeyWSWQBYYQIUVCHX-UHFFFAOYSA-N
XLogP4.77
TPSA71.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.30
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-5-[(4-bromophenoxy)methyl]-N-methylfuran-2-carboxamide
CID 19451903
N-[(2-bromophenyl)methyl]-5-[(4-fluorophenoxy)methyl]-N-methylfuran-2-carboxamide
CID 31215377
N-benzyl-5-[(4-fluorophenoxy)methyl]-N-methylfuran-2-carboxamide
CID 51147848
N-(1H-benzimidazol-2-ylmethyl)-2-(4-ethoxyphenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 55631761
N-(1H-benzimidazol-2-ylmethyl)-N-methylpyridine-2-carboxamide
CID 36516329
N-(1H-benzimidazol-2-ylmethyl)-N,1-dimethylimidazole-2-carboxamide
CID 110467360
N-(1H-benzimidazol-2-ylmethyl)-N,4-dimethylbenzamide
CID 36516617
5-[(4-bromophenoxy)methyl]-N-methyl-N-(1,3-thiazol-2-yl)furan-2-carboxamide
CID 47047134
N-(1-aminopropan-2-yl)-5-[(4-bromophenoxy)methyl]-N-methylfuran-2-carboxamide;hydrochloride
CID 119583540
5-[(4-bromophenoxy)methyl]-N-cyclohexyl-N-methylfuran-2-carboxamide
CID 55772175
N,N-dimethyl-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 39001167
N-(1H-benzimidazol-2-ylmethyl)-2-methoxy-N-methylacetamide
CID 47159982

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-5-[(4-bromophenoxy)methyl]-N-methylfuran-2-carboxamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-5-[(4-bromophenoxy)methyl]-N-methylfuran-2-carboxamide (CID 55824074) is N-(1H-benzimidazol-2-ylmethyl)-5-[(4-bromophenoxy)methyl]-N-methylfuran-2-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-5-[(4-bromophenoxy)methyl]-N-methylfuran-2-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-5-[(4-bromophenoxy)methyl]-N-methylfuran-2-carboxamide is CN(Cc1nc2ccccc2[nH]1)C(=O)c1ccc(COc2ccc(Br)cc2)o1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-5-[(4-bromophenoxy)methyl]-N-methylfuran-2-carboxamide?
The InChIKey is WSWQBYYQIUVCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrN3O3/c1-25(12-20-23-17-4-2-3-5-18(17)24-20)21(26)19-11-10-16(28-19)13-27-15-8-6-14(22)7-9-15/h2-11H,12-13H2,1H3,(H,23,24).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-5-[(4-bromophenoxy)methyl]-N-methylfuran-2-carboxamide?
N-(1H-benzimidazol-2-ylmethyl)-5-[(4-bromophenoxy)methyl]-N-methylfuran-2-carboxamide has a molecular weight of 440.30 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-5-[(4-bromophenoxy)methyl]-N-methylfuran-2-carboxamide is sourced from PubChem (CID 55824074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).