2-[4-[(4-hydroxy-6,6-dimethyl-2-propyl-4H-furo[3,4-d]imidazol-3-yl)methyl]phenyl]benzonitrile

C24H25N3O2 — CID 155906465

IUPAC2-[4-[(4-hydroxy-6,6-dimethyl-2-propyl-4H-furo[3,4-d]imidazol-3-yl)methyl]phenyl]benzonitrile
SMILESCCCc1nc2c(n1Cc1ccc(-c3ccccc3C#N)cc1)C(O)OC2(C)C
InChIInChI=1S/C24H25N3O2/c1-4-7-20-26-22-21(23(28)29-24(22,2)3)27(20)15-16-10-12-17(13-11-16)19-9-6-5-8-18(19)14-25/h5-6,8-13,23,28H,4,7,15H2,1-3H3
InChIKeyQZNTXTPEGOVGTG-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.68
Rot. Bonds5

About 2-[4-[(4-hydroxy-6,6-dimethyl-2-propyl-4H-furo[3,4-d]imidazol-3-yl)methyl]phenyl]benzonitrile

2-[4-[(4-hydroxy-6,6-dimethyl-2-propyl-4H-furo[3,4-d]imidazol-3-yl)methyl]phenyl]benzonitrile (PubChem CID 155906465) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 2-[4-[(4-hydroxy-6,6-dimethyl-2-propyl-4H-furo[3,4-d]imidazol-3-yl)methyl]phenyl]benzonitrile.

Molecular Properties

Compound Name2-[4-[(4-hydroxy-6,6-dimethyl-2-propyl-4H-furo[3,4-d]imidazol-3-yl)methyl]phenyl]benzonitrile
PubChem CID155906465
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name2-[4-[(4-hydroxy-6,6-dimethyl-2-propyl-4H-furo[3,4-d]imidazol-3-yl)methyl]phenyl]benzonitrile
SMILESCCCc1nc2c(n1Cc1ccc(-c3ccccc3C#N)cc1)C(O)OC2(C)C
InChIInChI=1S/C24H25N3O2/c1-4-7-20-26-22-21(23(28)29-24(22,2)3)27(20)15-16-10-12-17(13-11-16)19-9-6-5-8-18(19)14-25/h5-6,8-13,23,28H,4,7,15H2,1-3H3
InChIKeyQZNTXTPEGOVGTG-UHFFFAOYSA-N
XLogP4.68
TPSA71.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[(4-hydroxy-6,6-dimethyl-2-propyl-4H-furo[3,4-d]imidazol-3-yl)methyl]phenyl]benzonitrile with MolForge

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Related Compounds

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2-[4-[(5-cyclopropyl-4-ethyl-6-oxo-2-propylpyrimidin-1-yl)methyl]phenyl]benzonitrile
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[2-(1-aminobutyl)-5-chloro-3-[[4-(2-cyanophenyl)phenyl]methyl]imidazol-4-yl]methyloxidanium
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2-[4-[(2-ethyl-4-oxoquinazolin-1-yl)methyl]phenyl]benzonitrile
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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-hydroxy-6,6-dimethyl-2-propyl-4H-furo[3,4-d]imidazol-3-yl)methyl]phenyl]benzonitrile?
The IUPAC name of 2-[4-[(4-hydroxy-6,6-dimethyl-2-propyl-4H-furo[3,4-d]imidazol-3-yl)methyl]phenyl]benzonitrile (CID 155906465) is 2-[4-[(4-hydroxy-6,6-dimethyl-2-propyl-4H-furo[3,4-d]imidazol-3-yl)methyl]phenyl]benzonitrile.
What is the SMILES notation for 2-[4-[(4-hydroxy-6,6-dimethyl-2-propyl-4H-furo[3,4-d]imidazol-3-yl)methyl]phenyl]benzonitrile?
The canonical SMILES for 2-[4-[(4-hydroxy-6,6-dimethyl-2-propyl-4H-furo[3,4-d]imidazol-3-yl)methyl]phenyl]benzonitrile is CCCc1nc2c(n1Cc1ccc(-c3ccccc3C#N)cc1)C(O)OC2(C)C.
What is the InChIKey of 2-[4-[(4-hydroxy-6,6-dimethyl-2-propyl-4H-furo[3,4-d]imidazol-3-yl)methyl]phenyl]benzonitrile?
The InChIKey is QZNTXTPEGOVGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-4-7-20-26-22-21(23(28)29-24(22,2)3)27(20)15-16-10-12-17(13-11-16)19-9-6-5-8-18(19)14-25/h5-6,8-13,23,28H,4,7,15H2,1-3H3.
What are the key properties of 2-[4-[(4-hydroxy-6,6-dimethyl-2-propyl-4H-furo[3,4-d]imidazol-3-yl)methyl]phenyl]benzonitrile?
2-[4-[(4-hydroxy-6,6-dimethyl-2-propyl-4H-furo[3,4-d]imidazol-3-yl)methyl]phenyl]benzonitrile has a molecular weight of 387.48 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-hydroxy-6,6-dimethyl-2-propyl-4H-furo[3,4-d]imidazol-3-yl)methyl]phenyl]benzonitrile is sourced from PubChem (CID 155906465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).