4-[(2-tert-butyl-6-methylimidazo[4,5-b]pyridin-3-yl)methyl]benzonitrile

C19H20N4 — CID 82150679

IUPAC4-[(2-tert-butyl-6-methylimidazo[4,5-b]pyridin-3-yl)methyl]benzonitrile
SMILESCc1cnc2c(c1)nc(C(C)(C)C)n2Cc1ccc(C#N)cc1
InChIInChI=1S/C19H20N4/c1-13-9-16-17(21-11-13)23(18(22-16)19(2,3)4)12-15-7-5-14(10-20)6-8-15/h5-9,11H,12H2,1-4H3
InChIKeyRKGOXIFVJDSDNK-UHFFFAOYSA-N
MW304.40 g/mol
LogP3.96
Rot. Bonds2

About 4-[(2-tert-butyl-6-methylimidazo[4,5-b]pyridin-3-yl)methyl]benzonitrile

4-[(2-tert-butyl-6-methylimidazo[4,5-b]pyridin-3-yl)methyl]benzonitrile (PubChem CID 82150679) has the molecular formula C19H20N4 and a molecular weight of 304.40 g/mol. Its IUPAC name is 4-[(2-tert-butyl-6-methylimidazo[4,5-b]pyridin-3-yl)methyl]benzonitrile.

Molecular Properties

Compound Name4-[(2-tert-butyl-6-methylimidazo[4,5-b]pyridin-3-yl)methyl]benzonitrile
PubChem CID82150679
Molecular FormulaC19H20N4
Molecular Weight304.40 g/mol
Exact Mass304.17
IUPAC Name4-[(2-tert-butyl-6-methylimidazo[4,5-b]pyridin-3-yl)methyl]benzonitrile
SMILESCc1cnc2c(c1)nc(C(C)(C)C)n2Cc1ccc(C#N)cc1
InChIInChI=1S/C19H20N4/c1-13-9-16-17(21-11-13)23(18(22-16)19(2,3)4)12-15-7-5-14(10-20)6-8-15/h5-9,11H,12H2,1-4H3
InChIKeyRKGOXIFVJDSDNK-UHFFFAOYSA-N
XLogP3.96
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2,6-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]benzonitrile
CID 82150674
4-[(2-tert-butyl-5,6-difluorobenzimidazol-1-yl)methyl]benzonitrile
CID 82149265
4-(2-amino-6-methylimidazo[4,5-b]pyridin-3-yl)benzonitrile
CID 79301752
3-[(4-bromophenyl)methyl]-2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridine
CID 79278156
2-[4-[(2-butyl-6-methylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]benzonitrile
CID 67943935
4-[(6-bromo-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)methyl]benzonitrile
CID 79306689
2-[6-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethanol
CID 82150794
4-[(2-amino-5,6-dimethylbenzimidazol-1-yl)methyl]benzonitrile
CID 82359067
3-ethyl-2,6-dimethylimidazo[4,5-b]pyridine
CID 162381340
4-[[5-(2,6-diamino-4-pyridinyl)-2-methylimidazo[4,5-b]pyridin-3-yl]methyl]benzonitrile
CID 135335878
[4-[(2-butyl-6-methylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]methanamine
CID 94758182
4-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]benzonitrile
CID 134083964

Frequently Asked Questions

What is the IUPAC name of 4-[(2-tert-butyl-6-methylimidazo[4,5-b]pyridin-3-yl)methyl]benzonitrile?
The IUPAC name of 4-[(2-tert-butyl-6-methylimidazo[4,5-b]pyridin-3-yl)methyl]benzonitrile (CID 82150679) is 4-[(2-tert-butyl-6-methylimidazo[4,5-b]pyridin-3-yl)methyl]benzonitrile.
What is the SMILES notation for 4-[(2-tert-butyl-6-methylimidazo[4,5-b]pyridin-3-yl)methyl]benzonitrile?
The canonical SMILES for 4-[(2-tert-butyl-6-methylimidazo[4,5-b]pyridin-3-yl)methyl]benzonitrile is Cc1cnc2c(c1)nc(C(C)(C)C)n2Cc1ccc(C#N)cc1.
What is the InChIKey of 4-[(2-tert-butyl-6-methylimidazo[4,5-b]pyridin-3-yl)methyl]benzonitrile?
The InChIKey is RKGOXIFVJDSDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4/c1-13-9-16-17(21-11-13)23(18(22-16)19(2,3)4)12-15-7-5-14(10-20)6-8-15/h5-9,11H,12H2,1-4H3.
What are the key properties of 4-[(2-tert-butyl-6-methylimidazo[4,5-b]pyridin-3-yl)methyl]benzonitrile?
4-[(2-tert-butyl-6-methylimidazo[4,5-b]pyridin-3-yl)methyl]benzonitrile has a molecular weight of 304.40 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-tert-butyl-6-methylimidazo[4,5-b]pyridin-3-yl)methyl]benzonitrile is sourced from PubChem (CID 82150679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).