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

C23H27N3O3S — CID 22391673

IUPAC1-[2-hydroxy-5-[2-[(4-methylsulfanylphenyl)methoxy]phenyl]pentyl]imidazole-4-carboxamide
SMILESCSc1ccc(COc2ccccc2CCCC(O)Cn2cnc(C(N)=O)c2)cc1
InChIInChI=1S/C23H27N3O3S/c1-30-20-11-9-17(10-12-20)15-29-22-8-3-2-5-18(22)6-4-7-19(27)13-26-14-21(23(24)28)25-16-26/h2-3,5,8-12,14,16,19,27H,4,6-7,13,15H2,1H3,(H2,24,28)
InChIKeyPOJWFPYSISWKHI-UHFFFAOYSA-N
MW425.55 g/mol
LogP3.67
Rot. Bonds11

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

1-[2-hydroxy-5-[2-[(4-methylsulfanylphenyl)methoxy]phenyl]pentyl]imidazole-4-carboxamide (PubChem CID 22391673) has the molecular formula C23H27N3O3S and a molecular weight of 425.55 g/mol. Its IUPAC name is 1-[2-hydroxy-5-[2-[(4-methylsulfanylphenyl)methoxy]phenyl]pentyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name1-[2-hydroxy-5-[2-[(4-methylsulfanylphenyl)methoxy]phenyl]pentyl]imidazole-4-carboxamide
PubChem CID22391673
Molecular FormulaC23H27N3O3S
Molecular Weight425.55 g/mol
Exact Mass425.18
IUPAC Name1-[2-hydroxy-5-[2-[(4-methylsulfanylphenyl)methoxy]phenyl]pentyl]imidazole-4-carboxamide
SMILESCSc1ccc(COc2ccccc2CCCC(O)Cn2cnc(C(N)=O)c2)cc1
InChIInChI=1S/C23H27N3O3S/c1-30-20-11-9-17(10-12-20)15-29-22-8-3-2-5-18(22)6-4-7-19(27)13-26-14-21(23(24)28)25-16-26/h2-3,5,8-12,14,16,19,27H,4,6-7,13,15H2,1H3,(H2,24,28)
InChIKeyPOJWFPYSISWKHI-UHFFFAOYSA-N
XLogP3.67
TPSA90.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-hydroxy-5-[2-[(4-thiophen-2-ylphenyl)methoxy]phenyl]pentyl]imidazole-4-carboxamide
CID 22391690
1-[2-hydroxy-5-[2-[[4-(thiadiazol-4-yl)phenyl]methoxy]phenyl]pentyl]imidazole-4-carboxamide
CID 22391727
1-[5-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]-2-hydroxypentyl]imidazole-4-carboxamide
CID 22391699
1-[2-hydroxy-5-[2-(3-phenylpropoxy)phenyl]pentyl]imidazole-4-carboxamide
CID 22628514
1-(6-phenyl-2-phenylmethoxyhexyl)imidazole-4-carboxamide
CID 22628453
1-[5-[3-(4-fluorophenyl)phenoxy]-2-hydroxypentyl]imidazole-4-carboxamide
CID 22055006
1-[1-[2-[3-(4-chlorophenyl)propoxy]phenyl]-4-hydroxypentan-3-yl]imidazole-4-carboxamide
CID 10275108
1-[5-[3-(3,5-dichlorophenyl)phenoxy]-2-hydroxypentyl]imidazole-4-carboxamide
CID 22054979
N-[2-[(4-methylsulfanylphenyl)methoxy]phenyl]acetamide
CID 7506189
3-[(4-methylsulfanylphenyl)methoxy]pyridine-2-carboxylic acid
CID 61380434
(2S)-5-(4-fluoro-2-phenylmethoxyphenyl)pentan-2-ol
CID 173039005
4-[[2-(hydroxymethyl)phenoxy]methyl]benzamide
CID 103616898

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-5-[2-[(4-methylsulfanylphenyl)methoxy]phenyl]pentyl]imidazole-4-carboxamide?
The IUPAC name of 1-[2-hydroxy-5-[2-[(4-methylsulfanylphenyl)methoxy]phenyl]pentyl]imidazole-4-carboxamide (CID 22391673) is 1-[2-hydroxy-5-[2-[(4-methylsulfanylphenyl)methoxy]phenyl]pentyl]imidazole-4-carboxamide.
What is the SMILES notation for 1-[2-hydroxy-5-[2-[(4-methylsulfanylphenyl)methoxy]phenyl]pentyl]imidazole-4-carboxamide?
The canonical SMILES for 1-[2-hydroxy-5-[2-[(4-methylsulfanylphenyl)methoxy]phenyl]pentyl]imidazole-4-carboxamide is CSc1ccc(COc2ccccc2CCCC(O)Cn2cnc(C(N)=O)c2)cc1.
What is the InChIKey of 1-[2-hydroxy-5-[2-[(4-methylsulfanylphenyl)methoxy]phenyl]pentyl]imidazole-4-carboxamide?
The InChIKey is POJWFPYSISWKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3S/c1-30-20-11-9-17(10-12-20)15-29-22-8-3-2-5-18(22)6-4-7-19(27)13-26-14-21(23(24)28)25-16-26/h2-3,5,8-12,14,16,19,27H,4,6-7,13,15H2,1H3,(H2,24,28).
What are the key properties of 1-[2-hydroxy-5-[2-[(4-methylsulfanylphenyl)methoxy]phenyl]pentyl]imidazole-4-carboxamide?
1-[2-hydroxy-5-[2-[(4-methylsulfanylphenyl)methoxy]phenyl]pentyl]imidazole-4-carboxamide has a molecular weight of 425.55 g/mol, XLogP of 3.67, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-5-[2-[(4-methylsulfanylphenyl)methoxy]phenyl]pentyl]imidazole-4-carboxamide is sourced from PubChem (CID 22391673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).