3-[(4-phenylmethoxyphenyl)methyl]-5-(propanoylamino)imidazole-4-carboxamide

C21H22N4O3 — CID 18360225

IUPAC3-[(4-phenylmethoxyphenyl)methyl]-5-(propanoylamino)imidazole-4-carboxamide
SMILESCCC(=O)Nc1ncn(Cc2ccc(OCc3ccccc3)cc2)c1C(N)=O
InChIInChI=1S/C21H22N4O3/c1-2-18(26)24-21-19(20(22)27)25(14-23-21)12-15-8-10-17(11-9-15)28-13-16-6-4-3-5-7-16/h3-11,14H,2,12-13H2,1H3,(H2,22,27)(H,24,26)
InChIKeyCYMPRWMSXGJDBZ-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.96
Rot. Bonds8

About 3-[(4-phenylmethoxyphenyl)methyl]-5-(propanoylamino)imidazole-4-carboxamide

3-[(4-phenylmethoxyphenyl)methyl]-5-(propanoylamino)imidazole-4-carboxamide (PubChem CID 18360225) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 3-[(4-phenylmethoxyphenyl)methyl]-5-(propanoylamino)imidazole-4-carboxamide.

Molecular Properties

Compound Name3-[(4-phenylmethoxyphenyl)methyl]-5-(propanoylamino)imidazole-4-carboxamide
PubChem CID18360225
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name3-[(4-phenylmethoxyphenyl)methyl]-5-(propanoylamino)imidazole-4-carboxamide
SMILESCCC(=O)Nc1ncn(Cc2ccc(OCc3ccccc3)cc2)c1C(N)=O
InChIInChI=1S/C21H22N4O3/c1-2-18(26)24-21-19(20(22)27)25(14-23-21)12-15-8-10-17(11-9-15)28-13-16-6-4-3-5-7-16/h3-11,14H,2,12-13H2,1H3,(H2,22,27)(H,24,26)
InChIKeyCYMPRWMSXGJDBZ-UHFFFAOYSA-N
XLogP2.96
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3,5-ditert-butyl-4-phenylmethoxyphenyl)methyl]-5-(propanoylamino)imidazole-4-carboxamide
CID 18360456
diethyl 1-benzylimidazole-4,5-dicarboxylate
CID 852453
1-ethyl-1-(4-phenylmethoxyphenyl)urea
CID 67835509
2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]-N-[(4-phenylmethoxyphenyl)methyl]acetamide
CID 121063810
N-carbamoyl-2-(4-phenylmethoxyphenoxy)acetamide
CID 7950498
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenylmethoxyphenyl)acetamide
CID 2343294
2-(6-oxo-4-phenylpyrimidin-1-yl)-N-[(4-phenylmethoxyphenyl)methyl]acetamide
CID 121063676
4-phenylmethoxy-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide
CID 22779889
bis[(4-phenylmethoxyphenyl)methyl] propanedioate
CID 57028067
4-[(2-methylimidazol-1-yl)methyl]-N-(4-phenylmethoxyphenyl)benzamide
CID 43922241
N-hydroxy-2-[2-hydroxy-1-[(4-phenylmethoxyphenyl)methyl]pyrrol-3-yl]acetamide
CID 90915047
2-(3,7-dibenzyl-2,6-dioxopurin-1-yl)-N-(4-phenylmethoxyphenyl)acetamide
CID 5020978

Frequently Asked Questions

What is the IUPAC name of 3-[(4-phenylmethoxyphenyl)methyl]-5-(propanoylamino)imidazole-4-carboxamide?
The IUPAC name of 3-[(4-phenylmethoxyphenyl)methyl]-5-(propanoylamino)imidazole-4-carboxamide (CID 18360225) is 3-[(4-phenylmethoxyphenyl)methyl]-5-(propanoylamino)imidazole-4-carboxamide.
What is the SMILES notation for 3-[(4-phenylmethoxyphenyl)methyl]-5-(propanoylamino)imidazole-4-carboxamide?
The canonical SMILES for 3-[(4-phenylmethoxyphenyl)methyl]-5-(propanoylamino)imidazole-4-carboxamide is CCC(=O)Nc1ncn(Cc2ccc(OCc3ccccc3)cc2)c1C(N)=O.
What is the InChIKey of 3-[(4-phenylmethoxyphenyl)methyl]-5-(propanoylamino)imidazole-4-carboxamide?
The InChIKey is CYMPRWMSXGJDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-2-18(26)24-21-19(20(22)27)25(14-23-21)12-15-8-10-17(11-9-15)28-13-16-6-4-3-5-7-16/h3-11,14H,2,12-13H2,1H3,(H2,22,27)(H,24,26).
What are the key properties of 3-[(4-phenylmethoxyphenyl)methyl]-5-(propanoylamino)imidazole-4-carboxamide?
3-[(4-phenylmethoxyphenyl)methyl]-5-(propanoylamino)imidazole-4-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 2.96, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-phenylmethoxyphenyl)methyl]-5-(propanoylamino)imidazole-4-carboxamide is sourced from PubChem (CID 18360225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).