2-[5-[1-[(1-methylpyrrolidin-3-yl)methyl]imidazol-2-yl]furan-2-yl]benzonitrile

C20H20N4O — CID 56869573

IUPAC2-[5-[1-[(1-methylpyrrolidin-3-yl)methyl]imidazol-2-yl]furan-2-yl]benzonitrile
SMILESCN1CCC(Cn2ccnc2-c2ccc(-c3ccccc3C#N)o2)C1
InChIInChI=1S/C20H20N4O/c1-23-10-8-15(13-23)14-24-11-9-22-20(24)19-7-6-18(25-19)17-5-3-2-4-16(17)12-21/h2-7,9,11,15H,8,10,13-14H2,1H3
InChIKeyBLTSVJZFAAGYFL-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.63
Rot. Bonds4

About 2-[5-[1-[(1-methylpyrrolidin-3-yl)methyl]imidazol-2-yl]furan-2-yl]benzonitrile

2-[5-[1-[(1-methylpyrrolidin-3-yl)methyl]imidazol-2-yl]furan-2-yl]benzonitrile (PubChem CID 56869573) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 2-[5-[1-[(1-methylpyrrolidin-3-yl)methyl]imidazol-2-yl]furan-2-yl]benzonitrile.

Molecular Properties

Compound Name2-[5-[1-[(1-methylpyrrolidin-3-yl)methyl]imidazol-2-yl]furan-2-yl]benzonitrile
PubChem CID56869573
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name2-[5-[1-[(1-methylpyrrolidin-3-yl)methyl]imidazol-2-yl]furan-2-yl]benzonitrile
SMILESCN1CCC(Cn2ccnc2-c2ccc(-c3ccccc3C#N)o2)C1
InChIInChI=1S/C20H20N4O/c1-23-10-8-15(13-23)14-24-11-9-22-20(24)19-7-6-18(25-19)17-5-3-2-4-16(17)12-21/h2-7,9,11,15H,8,10,13-14H2,1H3
InChIKeyBLTSVJZFAAGYFL-UHFFFAOYSA-N
XLogP3.63
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-5-[1-[[(3S)-1-methylpyrrolidin-3-yl]methyl]imidazol-2-yl]pyrimidin-2-amine
CID 95555822
N-benzyl-5-[1-[[(3R)-1-methylpyrrolidin-3-yl]methyl]imidazol-2-yl]pyrimidin-2-amine
CID 95555823
6-methyl-5-[1-[(1-methylpyrrolidin-3-yl)methyl]imidazol-2-yl]quinoline
CID 56870582
2-[5-[[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]furan-2-yl]benzonitrile
CID 99953712
4-methyl-2-[[2-(2-methylphenyl)imidazol-1-yl]methyl]morpholine
CID 154821341
2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]benzonitrile
CID 63274069
2-cyclopentyl-1-[(1-methylpyrrolidin-3-yl)methyl]imidazole
CID 155911076
formic acid;2-[1-[(1-methylpyrrolidin-3-yl)methyl]imidazol-2-yl]-1,3-thiazole
CID 155971731
2-[5-[[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]furan-2-yl]benzonitrile
CID 95729395
1-[(1-methylpyrrolidin-3-yl)methyl]-N-propan-2-ylimidazol-2-amine
CID 106563035
3-chloro-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyridine-4-carbonitrile
CID 107057707
2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzonitrile
CID 63234456

Frequently Asked Questions

What is the IUPAC name of 2-[5-[1-[(1-methylpyrrolidin-3-yl)methyl]imidazol-2-yl]furan-2-yl]benzonitrile?
The IUPAC name of 2-[5-[1-[(1-methylpyrrolidin-3-yl)methyl]imidazol-2-yl]furan-2-yl]benzonitrile (CID 56869573) is 2-[5-[1-[(1-methylpyrrolidin-3-yl)methyl]imidazol-2-yl]furan-2-yl]benzonitrile.
What is the SMILES notation for 2-[5-[1-[(1-methylpyrrolidin-3-yl)methyl]imidazol-2-yl]furan-2-yl]benzonitrile?
The canonical SMILES for 2-[5-[1-[(1-methylpyrrolidin-3-yl)methyl]imidazol-2-yl]furan-2-yl]benzonitrile is CN1CCC(Cn2ccnc2-c2ccc(-c3ccccc3C#N)o2)C1.
What is the InChIKey of 2-[5-[1-[(1-methylpyrrolidin-3-yl)methyl]imidazol-2-yl]furan-2-yl]benzonitrile?
The InChIKey is BLTSVJZFAAGYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-23-10-8-15(13-23)14-24-11-9-22-20(24)19-7-6-18(25-19)17-5-3-2-4-16(17)12-21/h2-7,9,11,15H,8,10,13-14H2,1H3.
What are the key properties of 2-[5-[1-[(1-methylpyrrolidin-3-yl)methyl]imidazol-2-yl]furan-2-yl]benzonitrile?
2-[5-[1-[(1-methylpyrrolidin-3-yl)methyl]imidazol-2-yl]furan-2-yl]benzonitrile has a molecular weight of 332.41 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[1-[(1-methylpyrrolidin-3-yl)methyl]imidazol-2-yl]furan-2-yl]benzonitrile is sourced from PubChem (CID 56869573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).