2-(2-methylpropyl)-1-pyridin-2-ylbenzimidazole

C16H17N3 — CID 21050242

IUPAC2-(2-methylpropyl)-1-pyridin-2-ylbenzimidazole
SMILESCC(C)Cc1nc2ccccc2n1-c1ccccn1
InChIInChI=1S/C16H17N3/c1-12(2)11-16-18-13-7-3-4-8-14(13)19(16)15-9-5-6-10-17-15/h3-10,12H,11H2,1-2H3
InChIKeyWRWMVMYENXYYPK-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.62
Rot. Bonds3

About 2-(2-methylpropyl)-1-pyridin-2-ylbenzimidazole

2-(2-methylpropyl)-1-pyridin-2-ylbenzimidazole (PubChem CID 21050242) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(2-methylpropyl)-1-pyridin-2-ylbenzimidazole.

Molecular Properties

Compound Name2-(2-methylpropyl)-1-pyridin-2-ylbenzimidazole
PubChem CID21050242
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name2-(2-methylpropyl)-1-pyridin-2-ylbenzimidazole
SMILESCC(C)Cc1nc2ccccc2n1-c1ccccn1
InChIInChI=1S/C16H17N3/c1-12(2)11-16-18-13-7-3-4-8-14(13)19(16)15-9-5-6-10-17-15/h3-10,12H,11H2,1-2H3
InChIKeyWRWMVMYENXYYPK-UHFFFAOYSA-N
XLogP3.62
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-1-pyridin-2-ylbenzimidazole?
The IUPAC name of 2-(2-methylpropyl)-1-pyridin-2-ylbenzimidazole (CID 21050242) is 2-(2-methylpropyl)-1-pyridin-2-ylbenzimidazole.
What is the SMILES notation for 2-(2-methylpropyl)-1-pyridin-2-ylbenzimidazole?
The canonical SMILES for 2-(2-methylpropyl)-1-pyridin-2-ylbenzimidazole is CC(C)Cc1nc2ccccc2n1-c1ccccn1.
What is the InChIKey of 2-(2-methylpropyl)-1-pyridin-2-ylbenzimidazole?
The InChIKey is WRWMVMYENXYYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-12(2)11-16-18-13-7-3-4-8-14(13)19(16)15-9-5-6-10-17-15/h3-10,12H,11H2,1-2H3.
What are the key properties of 2-(2-methylpropyl)-1-pyridin-2-ylbenzimidazole?
2-(2-methylpropyl)-1-pyridin-2-ylbenzimidazole has a molecular weight of 251.33 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-1-pyridin-2-ylbenzimidazole is sourced from PubChem (CID 21050242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).