4-[4-(4-cyanophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydro-1H-imidazol-5-yl]benzonitrile

C27H24N4O2 — CID 10173536

IUPAC4-[4-(4-cyanophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydro-1H-imidazol-5-yl]benzonitrile
SMILESCOc1ccc(C2=NC(c3ccc(C#N)cc3)C(c3ccc(C#N)cc3)N2)c(OC(C)C)c1
InChIInChI=1S/C27H24N4O2/c1-17(2)33-24-14-22(32-3)12-13-23(24)27-30-25(20-8-4-18(15-28)5-9-20)26(31-27)21-10-6-19(16-29)7-11-21/h4-14,17,25-26H,1-3H3,(H,30,31)
InChIKeyMZRWMWGNJGNKFT-UHFFFAOYSA-N
MW436.52 g/mol
LogP5.06
Rot. Bonds6

About 4-[4-(4-cyanophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydro-1H-imidazol-5-yl]benzonitrile

4-[4-(4-cyanophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydro-1H-imidazol-5-yl]benzonitrile (PubChem CID 10173536) has the molecular formula C27H24N4O2 and a molecular weight of 436.52 g/mol. Its IUPAC name is 4-[4-(4-cyanophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydro-1H-imidazol-5-yl]benzonitrile.

Molecular Properties

Compound Name4-[4-(4-cyanophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydro-1H-imidazol-5-yl]benzonitrile
PubChem CID10173536
Molecular FormulaC27H24N4O2
Molecular Weight436.52 g/mol
Exact Mass436.19
IUPAC Name4-[4-(4-cyanophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydro-1H-imidazol-5-yl]benzonitrile
SMILESCOc1ccc(C2=NC(c3ccc(C#N)cc3)C(c3ccc(C#N)cc3)N2)c(OC(C)C)c1
InChIInChI=1S/C27H24N4O2/c1-17(2)33-24-14-22(32-3)12-13-23(24)27-30-25(20-8-4-18(15-28)5-9-20)26(31-27)21-10-6-19(16-29)7-11-21/h4-14,17,25-26H,1-3H3,(H,30,31)
InChIKeyMZRWMWGNJGNKFT-UHFFFAOYSA-N
XLogP5.06
TPSA90.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.52
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-cyanophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydro-1H-imidazol-5-yl]benzonitrile?
The IUPAC name of 4-[4-(4-cyanophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydro-1H-imidazol-5-yl]benzonitrile (CID 10173536) is 4-[4-(4-cyanophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydro-1H-imidazol-5-yl]benzonitrile.
What is the SMILES notation for 4-[4-(4-cyanophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydro-1H-imidazol-5-yl]benzonitrile?
The canonical SMILES for 4-[4-(4-cyanophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydro-1H-imidazol-5-yl]benzonitrile is COc1ccc(C2=NC(c3ccc(C#N)cc3)C(c3ccc(C#N)cc3)N2)c(OC(C)C)c1.
What is the InChIKey of 4-[4-(4-cyanophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydro-1H-imidazol-5-yl]benzonitrile?
The InChIKey is MZRWMWGNJGNKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O2/c1-17(2)33-24-14-22(32-3)12-13-23(24)27-30-25(20-8-4-18(15-28)5-9-20)26(31-27)21-10-6-19(16-29)7-11-21/h4-14,17,25-26H,1-3H3,(H,30,31).
What are the key properties of 4-[4-(4-cyanophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydro-1H-imidazol-5-yl]benzonitrile?
4-[4-(4-cyanophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydro-1H-imidazol-5-yl]benzonitrile has a molecular weight of 436.52 g/mol, XLogP of 5.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-cyanophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydro-1H-imidazol-5-yl]benzonitrile is sourced from PubChem (CID 10173536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).