2-[[2-(4-aminofuran-3-yl)benzimidazol-1-yl]methyl]benzonitrile

C19H14N4O — CID 142668525

IUPAC2-[[2-(4-aminofuran-3-yl)benzimidazol-1-yl]methyl]benzonitrile
SMILESN#Cc1ccccc1Cn1c(-c2cocc2N)nc2ccccc21
InChIInChI=1S/C19H14N4O/c20-9-13-5-1-2-6-14(13)10-23-18-8-4-3-7-17(18)22-19(23)15-11-24-12-16(15)21/h1-8,11-12H,10,21H2
InChIKeyNRLOHWUHQVAGCM-UHFFFAOYSA-N
MW314.35 g/mol
LogP3.80
Rot. Bonds3

About 2-[[2-(4-aminofuran-3-yl)benzimidazol-1-yl]methyl]benzonitrile

2-[[2-(4-aminofuran-3-yl)benzimidazol-1-yl]methyl]benzonitrile (PubChem CID 142668525) has the molecular formula C19H14N4O and a molecular weight of 314.35 g/mol. Its IUPAC name is 2-[[2-(4-aminofuran-3-yl)benzimidazol-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name2-[[2-(4-aminofuran-3-yl)benzimidazol-1-yl]methyl]benzonitrile
PubChem CID142668525
Molecular FormulaC19H14N4O
Molecular Weight314.35 g/mol
Exact Mass314.12
IUPAC Name2-[[2-(4-aminofuran-3-yl)benzimidazol-1-yl]methyl]benzonitrile
SMILESN#Cc1ccccc1Cn1c(-c2cocc2N)nc2ccccc21
InChIInChI=1S/C19H14N4O/c20-9-13-5-1-2-6-14(13)10-23-18-8-4-3-7-17(18)22-19(23)15-11-24-12-16(15)21/h1-8,11-12H,10,21H2
InChIKeyNRLOHWUHQVAGCM-UHFFFAOYSA-N
XLogP3.80
TPSA80.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(4-tert-butylphenyl)benzimidazol-1-yl]methyl]benzonitrile
CID 84571433
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CID 82359718
2-(2-chlorophenyl)-1-[(2-chlorophenyl)methyl]benzimidazole
CID 3596016
2-[[2-[(4-hydroxycyclohexyl)amino]benzimidazol-1-yl]methyl]benzonitrile
CID 71649356
2-[(2-amino-5,6-difluorobenzimidazol-1-yl)methyl]benzonitrile
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4-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]aniline
CID 92629106
2-[[3-[(2-cyanophenyl)methyl]-4,5-dimethyl-2-oxoimidazol-1-yl]methyl]benzonitrile
CID 67586386
4-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]aniline
CID 92629105
2-methyl-1-[[2-[(2-methylbenzimidazol-1-yl)methyl]phenyl]methyl]benzimidazole
CID 154733183
1-[(2-methylphenyl)methyl]-2-phenylbenzimidazole
CID 1320430
2-[(2-chloro-4,5-dimethyl-6-oxopyrimidin-1-yl)methyl]benzonitrile
CID 11414643
2-[(4,6-dimethyl-2-oxopyrimidin-1-yl)methyl]benzonitrile
CID 24696417

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-aminofuran-3-yl)benzimidazol-1-yl]methyl]benzonitrile?
The IUPAC name of 2-[[2-(4-aminofuran-3-yl)benzimidazol-1-yl]methyl]benzonitrile (CID 142668525) is 2-[[2-(4-aminofuran-3-yl)benzimidazol-1-yl]methyl]benzonitrile.
What is the SMILES notation for 2-[[2-(4-aminofuran-3-yl)benzimidazol-1-yl]methyl]benzonitrile?
The canonical SMILES for 2-[[2-(4-aminofuran-3-yl)benzimidazol-1-yl]methyl]benzonitrile is N#Cc1ccccc1Cn1c(-c2cocc2N)nc2ccccc21.
What is the InChIKey of 2-[[2-(4-aminofuran-3-yl)benzimidazol-1-yl]methyl]benzonitrile?
The InChIKey is NRLOHWUHQVAGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O/c20-9-13-5-1-2-6-14(13)10-23-18-8-4-3-7-17(18)22-19(23)15-11-24-12-16(15)21/h1-8,11-12H,10,21H2.
What are the key properties of 2-[[2-(4-aminofuran-3-yl)benzimidazol-1-yl]methyl]benzonitrile?
2-[[2-(4-aminofuran-3-yl)benzimidazol-1-yl]methyl]benzonitrile has a molecular weight of 314.35 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-aminofuran-3-yl)benzimidazol-1-yl]methyl]benzonitrile is sourced from PubChem (CID 142668525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).