2-(2-bromofuran-3-yl)-1-cyclopropylbenzimidazole-5-carbonitrile

C15H10BrN3O — CID 106856275

IUPAC2-(2-bromofuran-3-yl)-1-cyclopropylbenzimidazole-5-carbonitrile
SMILESN#Cc1ccc2c(c1)nc(-c1ccoc1Br)n2C1CC1
InChIInChI=1S/C15H10BrN3O/c16-14-11(5-6-20-14)15-18-12-7-9(8-17)1-4-13(12)19(15)10-2-3-10/h1,4-7,10H,2-3H2
InChIKeyIBOVDDGMOIGQRO-UHFFFAOYSA-N
MW328.17 g/mol
LogP4.27
Rot. Bonds2

About 2-(2-bromofuran-3-yl)-1-cyclopropylbenzimidazole-5-carbonitrile

2-(2-bromofuran-3-yl)-1-cyclopropylbenzimidazole-5-carbonitrile (PubChem CID 106856275) has the molecular formula C15H10BrN3O and a molecular weight of 328.17 g/mol. Its IUPAC name is 2-(2-bromofuran-3-yl)-1-cyclopropylbenzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-(2-bromofuran-3-yl)-1-cyclopropylbenzimidazole-5-carbonitrile
PubChem CID106856275
Molecular FormulaC15H10BrN3O
Molecular Weight328.17 g/mol
Exact Mass327.00
IUPAC Name2-(2-bromofuran-3-yl)-1-cyclopropylbenzimidazole-5-carbonitrile
SMILESN#Cc1ccc2c(c1)nc(-c1ccoc1Br)n2C1CC1
InChIInChI=1S/C15H10BrN3O/c16-14-11(5-6-20-14)15-18-12-7-9(8-17)1-4-13(12)19(15)10-2-3-10/h1,4-7,10H,2-3H2
InChIKeyIBOVDDGMOIGQRO-UHFFFAOYSA-N
XLogP4.27
TPSA54.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.17
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromofuran-3-yl)-1-(2-methylpropyl)benzimidazole-5-carbonitrile
CID 106856277
1-cyclopropyl-2-(5-methylfuran-3-yl)benzimidazole-5-carbonitrile
CID 114823633
1-cyclopropyl-2-(4-methylthiophen-3-yl)benzimidazole-5-carbonitrile
CID 79808607
1-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)benzimidazole-5-carbonitrile
CID 65040130
1-cyclopropyl-2-methylbenzimidazole-5-carbonitrile
CID 28693642
1-cyclopropyl-2-(3-methylphenyl)benzimidazole-5-carbonitrile
CID 65040414
1-cyclopropyl-2-(oxolan-3-yl)benzimidazole-5-carbonitrile
CID 65040320
1-cyclopropyl-2-[(1S)-1-hydroxyethyl]benzimidazole-5-carbonitrile
CID 66263871
1-cyclopropyl-2-(1-cyclopropylethyl)benzimidazole-5-carbonitrile
CID 83151476
5-bromo-2-(5-bromo-1-cyclopropylbenzimidazol-2-yl)aniline
CID 63494896
1-cyclopropyl-2-(2-methyloxolan-3-yl)benzimidazole-5-carbonitrile
CID 79756124
1-cyclopropyl-2-(1,1,2,2-tetrafluoroethyl)benzimidazole-5-carbonitrile
CID 79659766

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromofuran-3-yl)-1-cyclopropylbenzimidazole-5-carbonitrile?
The IUPAC name of 2-(2-bromofuran-3-yl)-1-cyclopropylbenzimidazole-5-carbonitrile (CID 106856275) is 2-(2-bromofuran-3-yl)-1-cyclopropylbenzimidazole-5-carbonitrile.
What is the SMILES notation for 2-(2-bromofuran-3-yl)-1-cyclopropylbenzimidazole-5-carbonitrile?
The canonical SMILES for 2-(2-bromofuran-3-yl)-1-cyclopropylbenzimidazole-5-carbonitrile is N#Cc1ccc2c(c1)nc(-c1ccoc1Br)n2C1CC1.
What is the InChIKey of 2-(2-bromofuran-3-yl)-1-cyclopropylbenzimidazole-5-carbonitrile?
The InChIKey is IBOVDDGMOIGQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrN3O/c16-14-11(5-6-20-14)15-18-12-7-9(8-17)1-4-13(12)19(15)10-2-3-10/h1,4-7,10H,2-3H2.
What are the key properties of 2-(2-bromofuran-3-yl)-1-cyclopropylbenzimidazole-5-carbonitrile?
2-(2-bromofuran-3-yl)-1-cyclopropylbenzimidazole-5-carbonitrile has a molecular weight of 328.17 g/mol, XLogP of 4.27, 2 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-cyclopropylbenzimidazole-5-carbonitrile is sourced from PubChem (CID 106856275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).