2-[4-[5-(2-hydroxypropan-2-yl)benzimidazol-1-yl]-2-pyridinyl]benzonitrile

C22H18N4O — CID 46208258

IUPAC2-[4-[5-(2-hydroxypropan-2-yl)benzimidazol-1-yl]-2-pyridinyl]benzonitrile
SMILESCC(C)(O)c1ccc2c(c1)ncn2-c1ccnc(-c2ccccc2C#N)c1
InChIInChI=1S/C22H18N4O/c1-22(2,27)16-7-8-21-20(11-16)25-14-26(21)17-9-10-24-19(12-17)18-6-4-3-5-15(18)13-23/h3-12,14,27H,1-2H3
InChIKeyLGRYRBJLQBJRTF-UHFFFAOYSA-N
MW354.41 g/mol
LogP4.19
Rot. Bonds3

About 2-[4-[5-(2-hydroxypropan-2-yl)benzimidazol-1-yl]-2-pyridinyl]benzonitrile

2-[4-[5-(2-hydroxypropan-2-yl)benzimidazol-1-yl]-2-pyridinyl]benzonitrile (PubChem CID 46208258) has the molecular formula C22H18N4O and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-[4-[5-(2-hydroxypropan-2-yl)benzimidazol-1-yl]-2-pyridinyl]benzonitrile.

Molecular Properties

Compound Name2-[4-[5-(2-hydroxypropan-2-yl)benzimidazol-1-yl]-2-pyridinyl]benzonitrile
PubChem CID46208258
Molecular FormulaC22H18N4O
Molecular Weight354.41 g/mol
Exact Mass354.15
IUPAC Name2-[4-[5-(2-hydroxypropan-2-yl)benzimidazol-1-yl]-2-pyridinyl]benzonitrile
SMILESCC(C)(O)c1ccc2c(c1)ncn2-c1ccnc(-c2ccccc2C#N)c1
InChIInChI=1S/C22H18N4O/c1-22(2,27)16-7-8-21-20(11-16)25-14-26(21)17-9-10-24-19(12-17)18-6-4-3-5-15(18)13-23/h3-12,14,27H,1-2H3
InChIKeyLGRYRBJLQBJRTF-UHFFFAOYSA-N
XLogP4.19
TPSA74.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(2-hydroxypropan-2-yl)benzimidazol-1-yl]-2-pyridinyl]benzonitrile?
The IUPAC name of 2-[4-[5-(2-hydroxypropan-2-yl)benzimidazol-1-yl]-2-pyridinyl]benzonitrile (CID 46208258) is 2-[4-[5-(2-hydroxypropan-2-yl)benzimidazol-1-yl]-2-pyridinyl]benzonitrile.
What is the SMILES notation for 2-[4-[5-(2-hydroxypropan-2-yl)benzimidazol-1-yl]-2-pyridinyl]benzonitrile?
The canonical SMILES for 2-[4-[5-(2-hydroxypropan-2-yl)benzimidazol-1-yl]-2-pyridinyl]benzonitrile is CC(C)(O)c1ccc2c(c1)ncn2-c1ccnc(-c2ccccc2C#N)c1.
What is the InChIKey of 2-[4-[5-(2-hydroxypropan-2-yl)benzimidazol-1-yl]-2-pyridinyl]benzonitrile?
The InChIKey is LGRYRBJLQBJRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O/c1-22(2,27)16-7-8-21-20(11-16)25-14-26(21)17-9-10-24-19(12-17)18-6-4-3-5-15(18)13-23/h3-12,14,27H,1-2H3.
What are the key properties of 2-[4-[5-(2-hydroxypropan-2-yl)benzimidazol-1-yl]-2-pyridinyl]benzonitrile?
2-[4-[5-(2-hydroxypropan-2-yl)benzimidazol-1-yl]-2-pyridinyl]benzonitrile has a molecular weight of 354.41 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(2-hydroxypropan-2-yl)benzimidazol-1-yl]-2-pyridinyl]benzonitrile is sourced from PubChem (CID 46208258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).