1-propyl-2-[(2-quinolin-2-ylimidazol-1-yl)methyl]benzimidazole-5-carbonitrile

C24H20N6 — CID 22380108

IUPAC1-propyl-2-[(2-quinolin-2-ylimidazol-1-yl)methyl]benzimidazole-5-carbonitrile
SMILESCCCn1c(Cn2ccnc2-c2ccc3ccccc3n2)nc2cc(C#N)ccc21
InChIInChI=1S/C24H20N6/c1-2-12-30-22-10-7-17(15-25)14-21(22)28-23(30)16-29-13-11-26-24(29)20-9-8-18-5-3-4-6-19(18)27-20/h3-11,13-14H,2,12,16H2,1H3
InChIKeyKHZPOCQKZGMWDY-UHFFFAOYSA-N
MW392.47 g/mol
LogP4.78
Rot. Bonds5

About 1-propyl-2-[(2-quinolin-2-ylimidazol-1-yl)methyl]benzimidazole-5-carbonitrile

1-propyl-2-[(2-quinolin-2-ylimidazol-1-yl)methyl]benzimidazole-5-carbonitrile (PubChem CID 22380108) has the molecular formula C24H20N6 and a molecular weight of 392.47 g/mol. Its IUPAC name is 1-propyl-2-[(2-quinolin-2-ylimidazol-1-yl)methyl]benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name1-propyl-2-[(2-quinolin-2-ylimidazol-1-yl)methyl]benzimidazole-5-carbonitrile
PubChem CID22380108
Molecular FormulaC24H20N6
Molecular Weight392.47 g/mol
Exact Mass392.17
IUPAC Name1-propyl-2-[(2-quinolin-2-ylimidazol-1-yl)methyl]benzimidazole-5-carbonitrile
SMILESCCCn1c(Cn2ccnc2-c2ccc3ccccc3n2)nc2cc(C#N)ccc21
InChIInChI=1S/C24H20N6/c1-2-12-30-22-10-7-17(15-25)14-21(22)28-23(30)16-29-13-11-26-24(29)20-9-8-18-5-3-4-6-19(18)27-20/h3-11,13-14H,2,12,16H2,1H3
InChIKeyKHZPOCQKZGMWDY-UHFFFAOYSA-N
XLogP4.78
TPSA72.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.47
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-2-[(2-quinolin-2-ylimidazol-1-yl)methyl]benzimidazole-5-carbonitrile?
The IUPAC name of 1-propyl-2-[(2-quinolin-2-ylimidazol-1-yl)methyl]benzimidazole-5-carbonitrile (CID 22380108) is 1-propyl-2-[(2-quinolin-2-ylimidazol-1-yl)methyl]benzimidazole-5-carbonitrile.
What is the SMILES notation for 1-propyl-2-[(2-quinolin-2-ylimidazol-1-yl)methyl]benzimidazole-5-carbonitrile?
The canonical SMILES for 1-propyl-2-[(2-quinolin-2-ylimidazol-1-yl)methyl]benzimidazole-5-carbonitrile is CCCn1c(Cn2ccnc2-c2ccc3ccccc3n2)nc2cc(C#N)ccc21.
What is the InChIKey of 1-propyl-2-[(2-quinolin-2-ylimidazol-1-yl)methyl]benzimidazole-5-carbonitrile?
The InChIKey is KHZPOCQKZGMWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6/c1-2-12-30-22-10-7-17(15-25)14-21(22)28-23(30)16-29-13-11-26-24(29)20-9-8-18-5-3-4-6-19(18)27-20/h3-11,13-14H,2,12,16H2,1H3.
What are the key properties of 1-propyl-2-[(2-quinolin-2-ylimidazol-1-yl)methyl]benzimidazole-5-carbonitrile?
1-propyl-2-[(2-quinolin-2-ylimidazol-1-yl)methyl]benzimidazole-5-carbonitrile has a molecular weight of 392.47 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-2-[(2-quinolin-2-ylimidazol-1-yl)methyl]benzimidazole-5-carbonitrile is sourced from PubChem (CID 22380108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).