4-[[5-carbamoyl-4-[(4-propan-2-ylphenyl)carbamoylamino]-1H-imidazol-2-yl]methyl]benzoic acid

C22H23N5O4 — CID 59508417

IUPAC4-[[5-carbamoyl-4-[(4-propan-2-ylphenyl)carbamoylamino]-1H-imidazol-2-yl]methyl]benzoic acid
SMILESCC(C)c1ccc(NC(=O)Nc2nc(Cc3ccc(C(=O)O)cc3)[nH]c2C(N)=O)cc1
InChIInChI=1S/C22H23N5O4/c1-12(2)14-7-9-16(10-8-14)24-22(31)27-20-18(19(23)28)25-17(26-20)11-13-3-5-15(6-4-13)21(29)30/h3-10,12H,11H2,1-2H3,(H2,23,28)(H,25,26)(H,29,30)(H2,24,27,31)
InChIKeyUHWMICXXGTXJSV-UHFFFAOYSA-N
MW421.46 g/mol
LogP3.57
Rot. Bonds7

About 4-[[5-carbamoyl-4-[(4-propan-2-ylphenyl)carbamoylamino]-1H-imidazol-2-yl]methyl]benzoic acid

4-[[5-carbamoyl-4-[(4-propan-2-ylphenyl)carbamoylamino]-1H-imidazol-2-yl]methyl]benzoic acid (PubChem CID 59508417) has the molecular formula C22H23N5O4 and a molecular weight of 421.46 g/mol. Its IUPAC name is 4-[[5-carbamoyl-4-[(4-propan-2-ylphenyl)carbamoylamino]-1H-imidazol-2-yl]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[5-carbamoyl-4-[(4-propan-2-ylphenyl)carbamoylamino]-1H-imidazol-2-yl]methyl]benzoic acid
PubChem CID59508417
Molecular FormulaC22H23N5O4
Molecular Weight421.46 g/mol
Exact Mass421.18
IUPAC Name4-[[5-carbamoyl-4-[(4-propan-2-ylphenyl)carbamoylamino]-1H-imidazol-2-yl]methyl]benzoic acid
SMILESCC(C)c1ccc(NC(=O)Nc2nc(Cc3ccc(C(=O)O)cc3)[nH]c2C(N)=O)cc1
InChIInChI=1S/C22H23N5O4/c1-12(2)14-7-9-16(10-8-14)24-22(31)27-20-18(19(23)28)25-17(26-20)11-13-3-5-15(6-4-13)21(29)30/h3-10,12H,11H2,1-2H3,(H2,23,28)(H,25,26)(H,29,30)(H2,24,27,31)
InChIKeyUHWMICXXGTXJSV-UHFFFAOYSA-N
XLogP3.57
TPSA150.20 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 53.57
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Analyze 4-[[5-carbamoyl-4-[(4-propan-2-ylphenyl)carbamoylamino]-1H-imidazol-2-yl]methyl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[[5-carbamoyl-4-[(4-propan-2-ylphenyl)carbamoylamino]-1H-imidazol-2-yl]methyl]phenyl] butaneperoxoate
CID 90765112
2-[[4-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl]methyl]-4-[[4-(trifluoromethyl)phenyl]carbamoylamino]-1H-imidazole-5-carboxamide
CID 59508437
2-[[4-[hydroxy(methyl)carbamoyl]phenyl]methyl]-4-[[4-(trifluoromethyl)phenyl]carbamoylamino]-1H-imidazole-5-carboxylic acid
CID 122437562
2-[4-[[5-carbamoyl-4-[[3-(methylcarbamoyl)phenyl]carbamoylamino]-1H-imidazol-2-yl]methyl]phenoxy]acetic acid
CID 59508458
5-[[4-[(4-tert-butylbenzoyl)amino]-5-carbamoyl-1H-imidazol-2-yl]methyl]furan-2-carboxylic acid
CID 15940212
4-[(4-butylphenyl)carbamoylamino]-2-[[5-(pentylcarbamoyl)furan-2-yl]methyl]-1H-imidazole-5-carboxamide
CID 67544859
4-[[5-[3-[(4-propan-2-ylphenyl)carbamoylamino]phenyl]-1,3,4-oxadiazol-2-yl]methyl]benzoic acid
CID 143217457
1-(4-ethylphenyl)-3-(4-propan-2-ylphenyl)urea
CID 4111810
4-propan-2-ylbenzoic acid;hydrochloride
CID 70157848
4-[(4-butylphenyl)carbamoylamino]-2-[[5-[(4-methylpiperidin-1-yl)methoxy]furan-2-yl]methyl]-1H-imidazole-5-carboxamide
CID 70847069
4-[(4-ethylphenyl)carbamoylamino]benzoic acid
CID 23551476
methyl 2-[(4-propan-2-ylphenyl)methyl]-3H-benzimidazole-5-carboxylate
CID 145226546

Frequently Asked Questions

What is the IUPAC name of 4-[[5-carbamoyl-4-[(4-propan-2-ylphenyl)carbamoylamino]-1H-imidazol-2-yl]methyl]benzoic acid?
The IUPAC name of 4-[[5-carbamoyl-4-[(4-propan-2-ylphenyl)carbamoylamino]-1H-imidazol-2-yl]methyl]benzoic acid (CID 59508417) is 4-[[5-carbamoyl-4-[(4-propan-2-ylphenyl)carbamoylamino]-1H-imidazol-2-yl]methyl]benzoic acid.
What is the SMILES notation for 4-[[5-carbamoyl-4-[(4-propan-2-ylphenyl)carbamoylamino]-1H-imidazol-2-yl]methyl]benzoic acid?
The canonical SMILES for 4-[[5-carbamoyl-4-[(4-propan-2-ylphenyl)carbamoylamino]-1H-imidazol-2-yl]methyl]benzoic acid is CC(C)c1ccc(NC(=O)Nc2nc(Cc3ccc(C(=O)O)cc3)[nH]c2C(N)=O)cc1.
What is the InChIKey of 4-[[5-carbamoyl-4-[(4-propan-2-ylphenyl)carbamoylamino]-1H-imidazol-2-yl]methyl]benzoic acid?
The InChIKey is UHWMICXXGTXJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O4/c1-12(2)14-7-9-16(10-8-14)24-22(31)27-20-18(19(23)28)25-17(26-20)11-13-3-5-15(6-4-13)21(29)30/h3-10,12H,11H2,1-2H3,(H2,23,28)(H,25,26)(H,29,30)(H2,24,27,31).
What are the key properties of 4-[[5-carbamoyl-4-[(4-propan-2-ylphenyl)carbamoylamino]-1H-imidazol-2-yl]methyl]benzoic acid?
4-[[5-carbamoyl-4-[(4-propan-2-ylphenyl)carbamoylamino]-1H-imidazol-2-yl]methyl]benzoic acid has a molecular weight of 421.46 g/mol, XLogP of 3.57, 7 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-carbamoyl-4-[(4-propan-2-ylphenyl)carbamoylamino]-1H-imidazol-2-yl]methyl]benzoic acid is sourced from PubChem (CID 59508417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).