2-(2-methylprop-1-enyl)-1-pyridin-2-ylbenzimidazole

C16H15N3 — CID 22736660

IUPAC2-(2-methylprop-1-enyl)-1-pyridin-2-ylbenzimidazole
SMILESCC(C)=Cc1nc2ccccc2n1-c1ccccn1
InChIInChI=1S/C16H15N3/c1-12(2)11-16-18-13-7-3-4-8-14(13)19(16)15-9-5-6-10-17-15/h3-11H,1-2H3
InChIKeyQDIUPPFTXXCFHU-UHFFFAOYSA-N
MW249.32 g/mol
LogP3.84
Rot. Bonds2

About 2-(2-methylprop-1-enyl)-1-pyridin-2-ylbenzimidazole

2-(2-methylprop-1-enyl)-1-pyridin-2-ylbenzimidazole (PubChem CID 22736660) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is 2-(2-methylprop-1-enyl)-1-pyridin-2-ylbenzimidazole.

Molecular Properties

Compound Name2-(2-methylprop-1-enyl)-1-pyridin-2-ylbenzimidazole
PubChem CID22736660
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC Name2-(2-methylprop-1-enyl)-1-pyridin-2-ylbenzimidazole
SMILESCC(C)=Cc1nc2ccccc2n1-c1ccccn1
InChIInChI=1S/C16H15N3/c1-12(2)11-16-18-13-7-3-4-8-14(13)19(16)15-9-5-6-10-17-15/h3-11H,1-2H3
InChIKeyQDIUPPFTXXCFHU-UHFFFAOYSA-N
XLogP3.84
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-1-enyl)-1-pyridin-2-ylbenzimidazole?
The IUPAC name of 2-(2-methylprop-1-enyl)-1-pyridin-2-ylbenzimidazole (CID 22736660) is 2-(2-methylprop-1-enyl)-1-pyridin-2-ylbenzimidazole.
What is the SMILES notation for 2-(2-methylprop-1-enyl)-1-pyridin-2-ylbenzimidazole?
The canonical SMILES for 2-(2-methylprop-1-enyl)-1-pyridin-2-ylbenzimidazole is CC(C)=Cc1nc2ccccc2n1-c1ccccn1.
What is the InChIKey of 2-(2-methylprop-1-enyl)-1-pyridin-2-ylbenzimidazole?
The InChIKey is QDIUPPFTXXCFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3/c1-12(2)11-16-18-13-7-3-4-8-14(13)19(16)15-9-5-6-10-17-15/h3-11H,1-2H3.
What are the key properties of 2-(2-methylprop-1-enyl)-1-pyridin-2-ylbenzimidazole?
2-(2-methylprop-1-enyl)-1-pyridin-2-ylbenzimidazole has a molecular weight of 249.32 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-1-enyl)-1-pyridin-2-ylbenzimidazole is sourced from PubChem (CID 22736660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).