2-[[3-[(4-cyano-3-fluorophenyl)methyl]imidazol-4-yl]methylamino]-N-(7-hydroxynaphthalen-1-yl)acetamide

C24H20FN5O2 — CID 18475822

IUPAC2-[[3-[(4-cyano-3-fluorophenyl)methyl]imidazol-4-yl]methylamino]-N-(7-hydroxynaphthalen-1-yl)acetamide
SMILESN#Cc1ccc(Cn2cncc2CNCC(=O)Nc2cccc3ccc(O)cc23)cc1F
InChIInChI=1S/C24H20FN5O2/c25-22-8-16(4-5-18(22)10-26)14-30-15-28-12-19(30)11-27-13-24(32)29-23-3-1-2-17-6-7-20(31)9-21(17)23/h1-9,12,15,27,31H,11,13-14H2,(H,29,32)
InChIKeyFGYRUZAEOYXIPJ-UHFFFAOYSA-N
MW429.46 g/mol
LogP3.53
Rot. Bonds7

About 2-[[3-[(4-cyano-3-fluorophenyl)methyl]imidazol-4-yl]methylamino]-N-(7-hydroxynaphthalen-1-yl)acetamide

2-[[3-[(4-cyano-3-fluorophenyl)methyl]imidazol-4-yl]methylamino]-N-(7-hydroxynaphthalen-1-yl)acetamide (PubChem CID 18475822) has the molecular formula C24H20FN5O2 and a molecular weight of 429.46 g/mol. Its IUPAC name is 2-[[3-[(4-cyano-3-fluorophenyl)methyl]imidazol-4-yl]methylamino]-N-(7-hydroxynaphthalen-1-yl)acetamide.

Molecular Properties

Compound Name2-[[3-[(4-cyano-3-fluorophenyl)methyl]imidazol-4-yl]methylamino]-N-(7-hydroxynaphthalen-1-yl)acetamide
PubChem CID18475822
Molecular FormulaC24H20FN5O2
Molecular Weight429.46 g/mol
Exact Mass429.16
IUPAC Name2-[[3-[(4-cyano-3-fluorophenyl)methyl]imidazol-4-yl]methylamino]-N-(7-hydroxynaphthalen-1-yl)acetamide
SMILESN#Cc1ccc(Cn2cncc2CNCC(=O)Nc2cccc3ccc(O)cc23)cc1F
InChIInChI=1S/C24H20FN5O2/c25-22-8-16(4-5-18(22)10-26)14-30-15-28-12-19(30)11-27-13-24(32)29-23-3-1-2-17-6-7-20(31)9-21(17)23/h1-9,12,15,27,31H,11,13-14H2,(H,29,32)
InChIKeyFGYRUZAEOYXIPJ-UHFFFAOYSA-N
XLogP3.53
TPSA102.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.46
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(4-cyano-3-fluorophenyl)methyl]imidazol-4-yl]methylamino]-N-(7-hydroxynaphthalen-1-yl)acetamide?
The IUPAC name of 2-[[3-[(4-cyano-3-fluorophenyl)methyl]imidazol-4-yl]methylamino]-N-(7-hydroxynaphthalen-1-yl)acetamide (CID 18475822) is 2-[[3-[(4-cyano-3-fluorophenyl)methyl]imidazol-4-yl]methylamino]-N-(7-hydroxynaphthalen-1-yl)acetamide.
What is the SMILES notation for 2-[[3-[(4-cyano-3-fluorophenyl)methyl]imidazol-4-yl]methylamino]-N-(7-hydroxynaphthalen-1-yl)acetamide?
The canonical SMILES for 2-[[3-[(4-cyano-3-fluorophenyl)methyl]imidazol-4-yl]methylamino]-N-(7-hydroxynaphthalen-1-yl)acetamide is N#Cc1ccc(Cn2cncc2CNCC(=O)Nc2cccc3ccc(O)cc23)cc1F.
What is the InChIKey of 2-[[3-[(4-cyano-3-fluorophenyl)methyl]imidazol-4-yl]methylamino]-N-(7-hydroxynaphthalen-1-yl)acetamide?
The InChIKey is FGYRUZAEOYXIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN5O2/c25-22-8-16(4-5-18(22)10-26)14-30-15-28-12-19(30)11-27-13-24(32)29-23-3-1-2-17-6-7-20(31)9-21(17)23/h1-9,12,15,27,31H,11,13-14H2,(H,29,32).
What are the key properties of 2-[[3-[(4-cyano-3-fluorophenyl)methyl]imidazol-4-yl]methylamino]-N-(7-hydroxynaphthalen-1-yl)acetamide?
2-[[3-[(4-cyano-3-fluorophenyl)methyl]imidazol-4-yl]methylamino]-N-(7-hydroxynaphthalen-1-yl)acetamide has a molecular weight of 429.46 g/mol, XLogP of 3.53, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(4-cyano-3-fluorophenyl)methyl]imidazol-4-yl]methylamino]-N-(7-hydroxynaphthalen-1-yl)acetamide is sourced from PubChem (CID 18475822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).