1-[2-hydroxy-5-[2-[[4-(thiadiazol-4-yl)phenyl]methoxy]phenyl]pentyl]imidazole-4-carboxamide

C24H25N5O3S — CID 22391727

IUPAC1-[2-hydroxy-5-[2-[[4-(thiadiazol-4-yl)phenyl]methoxy]phenyl]pentyl]imidazole-4-carboxamide
SMILESNC(=O)c1cn(CC(O)CCCc2ccccc2OCc2ccc(-c3csnn3)cc2)cn1
InChIInChI=1S/C24H25N5O3S/c25-24(31)21-13-29(16-26-21)12-20(30)6-3-5-19-4-1-2-7-23(19)32-14-17-8-10-18(11-9-17)22-15-33-28-27-22/h1-2,4,7-11,13,15-16,20,30H,3,5-6,12,14H2,(H2,25,31)
InChIKeyRCZCBFUDZISSST-UHFFFAOYSA-N
MW463.56 g/mol
LogP3.46
Rot. Bonds11

About 1-[2-hydroxy-5-[2-[[4-(thiadiazol-4-yl)phenyl]methoxy]phenyl]pentyl]imidazole-4-carboxamide

1-[2-hydroxy-5-[2-[[4-(thiadiazol-4-yl)phenyl]methoxy]phenyl]pentyl]imidazole-4-carboxamide (PubChem CID 22391727) has the molecular formula C24H25N5O3S and a molecular weight of 463.56 g/mol. Its IUPAC name is 1-[2-hydroxy-5-[2-[[4-(thiadiazol-4-yl)phenyl]methoxy]phenyl]pentyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name1-[2-hydroxy-5-[2-[[4-(thiadiazol-4-yl)phenyl]methoxy]phenyl]pentyl]imidazole-4-carboxamide
PubChem CID22391727
Molecular FormulaC24H25N5O3S
Molecular Weight463.56 g/mol
Exact Mass463.17
IUPAC Name1-[2-hydroxy-5-[2-[[4-(thiadiazol-4-yl)phenyl]methoxy]phenyl]pentyl]imidazole-4-carboxamide
SMILESNC(=O)c1cn(CC(O)CCCc2ccccc2OCc2ccc(-c3csnn3)cc2)cn1
InChIInChI=1S/C24H25N5O3S/c25-24(31)21-13-29(16-26-21)12-20(30)6-3-5-19-4-1-2-7-23(19)32-14-17-8-10-18(11-9-17)22-15-33-28-27-22/h1-2,4,7-11,13,15-16,20,30H,3,5-6,12,14H2,(H2,25,31)
InChIKeyRCZCBFUDZISSST-UHFFFAOYSA-N
XLogP3.46
TPSA116.15 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-5-[2-[[4-(thiadiazol-4-yl)phenyl]methoxy]phenyl]pentyl]imidazole-4-carboxamide?
The IUPAC name of 1-[2-hydroxy-5-[2-[[4-(thiadiazol-4-yl)phenyl]methoxy]phenyl]pentyl]imidazole-4-carboxamide (CID 22391727) is 1-[2-hydroxy-5-[2-[[4-(thiadiazol-4-yl)phenyl]methoxy]phenyl]pentyl]imidazole-4-carboxamide.
What is the SMILES notation for 1-[2-hydroxy-5-[2-[[4-(thiadiazol-4-yl)phenyl]methoxy]phenyl]pentyl]imidazole-4-carboxamide?
The canonical SMILES for 1-[2-hydroxy-5-[2-[[4-(thiadiazol-4-yl)phenyl]methoxy]phenyl]pentyl]imidazole-4-carboxamide is NC(=O)c1cn(CC(O)CCCc2ccccc2OCc2ccc(-c3csnn3)cc2)cn1.
What is the InChIKey of 1-[2-hydroxy-5-[2-[[4-(thiadiazol-4-yl)phenyl]methoxy]phenyl]pentyl]imidazole-4-carboxamide?
The InChIKey is RCZCBFUDZISSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3S/c25-24(31)21-13-29(16-26-21)12-20(30)6-3-5-19-4-1-2-7-23(19)32-14-17-8-10-18(11-9-17)22-15-33-28-27-22/h1-2,4,7-11,13,15-16,20,30H,3,5-6,12,14H2,(H2,25,31).
What are the key properties of 1-[2-hydroxy-5-[2-[[4-(thiadiazol-4-yl)phenyl]methoxy]phenyl]pentyl]imidazole-4-carboxamide?
1-[2-hydroxy-5-[2-[[4-(thiadiazol-4-yl)phenyl]methoxy]phenyl]pentyl]imidazole-4-carboxamide has a molecular weight of 463.56 g/mol, XLogP of 3.46, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-5-[2-[[4-(thiadiazol-4-yl)phenyl]methoxy]phenyl]pentyl]imidazole-4-carboxamide is sourced from PubChem (CID 22391727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).