5-propan-2-yl-1-(3-pyridin-3-ylphenyl)benzimidazole

C21H19N3 — CID 19425997

IUPAC5-propan-2-yl-1-(3-pyridin-3-ylphenyl)benzimidazole
SMILESCC(C)c1ccc2c(c1)ncn2-c1cccc(-c2cccnc2)c1
InChIInChI=1S/C21H19N3/c1-15(2)16-8-9-21-20(12-16)23-14-24(21)19-7-3-5-17(11-19)18-6-4-10-22-13-18/h3-15H,1-2H3
InChIKeyVDGVQQDFFJAACX-UHFFFAOYSA-N
MW313.40 g/mol
LogP5.21
Rot. Bonds3

About 5-propan-2-yl-1-(3-pyridin-3-ylphenyl)benzimidazole

5-propan-2-yl-1-(3-pyridin-3-ylphenyl)benzimidazole (PubChem CID 19425997) has the molecular formula C21H19N3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 5-propan-2-yl-1-(3-pyridin-3-ylphenyl)benzimidazole.

Molecular Properties

Compound Name5-propan-2-yl-1-(3-pyridin-3-ylphenyl)benzimidazole
PubChem CID19425997
Molecular FormulaC21H19N3
Molecular Weight313.40 g/mol
Exact Mass313.16
IUPAC Name5-propan-2-yl-1-(3-pyridin-3-ylphenyl)benzimidazole
SMILESCC(C)c1ccc2c(c1)ncn2-c1cccc(-c2cccnc2)c1
InChIInChI=1S/C21H19N3/c1-15(2)16-8-9-21-20(12-16)23-14-24(21)19-7-3-5-17(11-19)18-6-4-10-22-13-18/h3-15H,1-2H3
InChIKeyVDGVQQDFFJAACX-UHFFFAOYSA-N
XLogP5.21
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.40
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-1-(3-pyridin-3-ylphenyl)benzimidazole?
The IUPAC name of 5-propan-2-yl-1-(3-pyridin-3-ylphenyl)benzimidazole (CID 19425997) is 5-propan-2-yl-1-(3-pyridin-3-ylphenyl)benzimidazole.
What is the SMILES notation for 5-propan-2-yl-1-(3-pyridin-3-ylphenyl)benzimidazole?
The canonical SMILES for 5-propan-2-yl-1-(3-pyridin-3-ylphenyl)benzimidazole is CC(C)c1ccc2c(c1)ncn2-c1cccc(-c2cccnc2)c1.
What is the InChIKey of 5-propan-2-yl-1-(3-pyridin-3-ylphenyl)benzimidazole?
The InChIKey is VDGVQQDFFJAACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3/c1-15(2)16-8-9-21-20(12-16)23-14-24(21)19-7-3-5-17(11-19)18-6-4-10-22-13-18/h3-15H,1-2H3.
What are the key properties of 5-propan-2-yl-1-(3-pyridin-3-ylphenyl)benzimidazole?
5-propan-2-yl-1-(3-pyridin-3-ylphenyl)benzimidazole has a molecular weight of 313.40 g/mol, XLogP of 5.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-1-(3-pyridin-3-ylphenyl)benzimidazole is sourced from PubChem (CID 19425997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).