2-(2-bromofuran-3-yl)-1-(2-methylpropyl)benzimidazole-5-carbonitrile

C16H14BrN3O — CID 106856277

IUPAC2-(2-bromofuran-3-yl)-1-(2-methylpropyl)benzimidazole-5-carbonitrile
SMILESCC(C)Cn1c(-c2ccoc2Br)nc2cc(C#N)ccc21
InChIInChI=1S/C16H14BrN3O/c1-10(2)9-20-14-4-3-11(8-18)7-13(14)19-16(20)12-5-6-21-15(12)17/h3-7,10H,9H2,1-2H3
InChIKeyVNVJRZNYMIQIFF-UHFFFAOYSA-N
MW344.21 g/mol
LogP4.59
Rot. Bonds3

About 2-(2-bromofuran-3-yl)-1-(2-methylpropyl)benzimidazole-5-carbonitrile

2-(2-bromofuran-3-yl)-1-(2-methylpropyl)benzimidazole-5-carbonitrile (PubChem CID 106856277) has the molecular formula C16H14BrN3O and a molecular weight of 344.21 g/mol. Its IUPAC name is 2-(2-bromofuran-3-yl)-1-(2-methylpropyl)benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-(2-bromofuran-3-yl)-1-(2-methylpropyl)benzimidazole-5-carbonitrile
PubChem CID106856277
Molecular FormulaC16H14BrN3O
Molecular Weight344.21 g/mol
Exact Mass343.03
IUPAC Name2-(2-bromofuran-3-yl)-1-(2-methylpropyl)benzimidazole-5-carbonitrile
SMILESCC(C)Cn1c(-c2ccoc2Br)nc2cc(C#N)ccc21
InChIInChI=1S/C16H14BrN3O/c1-10(2)9-20-14-4-3-11(8-18)7-13(14)19-16(20)12-5-6-21-15(12)17/h3-7,10H,9H2,1-2H3
InChIKeyVNVJRZNYMIQIFF-UHFFFAOYSA-N
XLogP4.59
TPSA54.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromofuran-3-yl)-1-cyclopropylbenzimidazole-5-carbonitrile
CID 106856275
1,2-bis(2-methylpropyl)benzimidazole-5-carbonitrile
CID 65040568
1-(2-methylpropyl)-2-(4-methyl-1,3-thiazol-5-yl)benzimidazole-5-carbonitrile
CID 65040190
2-(1-hydroxy-2-methylpropan-2-yl)-1-(2-methylpropyl)benzimidazole-5-carbonitrile
CID 65040523
2-(2,2-dimethylcyclopropyl)-1-(2-methylpropyl)benzimidazole-5-carbonitrile
CID 107003451
2-(5-bromo-2-methylphenyl)-1-ethylbenzimidazole-5-carbonitrile
CID 65309133
1-(2-methylpropyl)-2-(thiophen-2-ylmethyl)benzimidazole-5-carbonitrile
CID 65040473
1-(2-methylpropyl)-2-(propoxymethyl)benzimidazole-5-carbonitrile
CID 107941814
1-(2-methylpropyl)-2-(thiophen-3-ylmethyl)benzimidazole-5-carbonitrile
CID 65040709
1-(2-methylpropyl)-2-(oxolan-2-ylmethyl)benzimidazole-5-carbonitrile
CID 65159654
2-(5-chloro-2-fluorophenyl)-1-ethylbenzimidazole-5-carbonitrile
CID 65040586
2-(hydroxymethyl)-1-(3-methylbutyl)benzimidazole-5-carbonitrile
CID 68764810

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromofuran-3-yl)-1-(2-methylpropyl)benzimidazole-5-carbonitrile?
The IUPAC name of 2-(2-bromofuran-3-yl)-1-(2-methylpropyl)benzimidazole-5-carbonitrile (CID 106856277) is 2-(2-bromofuran-3-yl)-1-(2-methylpropyl)benzimidazole-5-carbonitrile.
What is the SMILES notation for 2-(2-bromofuran-3-yl)-1-(2-methylpropyl)benzimidazole-5-carbonitrile?
The canonical SMILES for 2-(2-bromofuran-3-yl)-1-(2-methylpropyl)benzimidazole-5-carbonitrile is CC(C)Cn1c(-c2ccoc2Br)nc2cc(C#N)ccc21.
What is the InChIKey of 2-(2-bromofuran-3-yl)-1-(2-methylpropyl)benzimidazole-5-carbonitrile?
The InChIKey is VNVJRZNYMIQIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O/c1-10(2)9-20-14-4-3-11(8-18)7-13(14)19-16(20)12-5-6-21-15(12)17/h3-7,10H,9H2,1-2H3.
What are the key properties of 2-(2-bromofuran-3-yl)-1-(2-methylpropyl)benzimidazole-5-carbonitrile?
2-(2-bromofuran-3-yl)-1-(2-methylpropyl)benzimidazole-5-carbonitrile has a molecular weight of 344.21 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromofuran-3-yl)-1-(2-methylpropyl)benzimidazole-5-carbonitrile is sourced from PubChem (CID 106856277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).