4-[2-[2-methoxy-4-(2-methylimidazol-1-yl)phenyl]-5-propylpyrrol-1-yl]-3-methylbenzamide

C26H28N4O2 — CID 151527615

IUPAC4-[2-[2-methoxy-4-(2-methylimidazol-1-yl)phenyl]-5-propylpyrrol-1-yl]-3-methylbenzamide
SMILESCCCc1ccc(-c2ccc(-n3ccnc3C)cc2OC)n1-c1ccc(C(N)=O)cc1C
InChIInChI=1S/C26H28N4O2/c1-5-6-20-9-12-24(30(20)23-11-7-19(26(27)31)15-17(23)2)22-10-8-21(16-25(22)32-4)29-14-13-28-18(29)3/h7-16H,5-6H2,1-4H3,(H2,27,31)
InChIKeyPVUKTSACHJQYBG-UHFFFAOYSA-N
MW428.54 g/mol
LogP5.01
Rot. Bonds7

About 4-[2-[2-methoxy-4-(2-methylimidazol-1-yl)phenyl]-5-propylpyrrol-1-yl]-3-methylbenzamide

4-[2-[2-methoxy-4-(2-methylimidazol-1-yl)phenyl]-5-propylpyrrol-1-yl]-3-methylbenzamide (PubChem CID 151527615) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is 4-[2-[2-methoxy-4-(2-methylimidazol-1-yl)phenyl]-5-propylpyrrol-1-yl]-3-methylbenzamide.

Molecular Properties

Compound Name4-[2-[2-methoxy-4-(2-methylimidazol-1-yl)phenyl]-5-propylpyrrol-1-yl]-3-methylbenzamide
PubChem CID151527615
Molecular FormulaC26H28N4O2
Molecular Weight428.54 g/mol
Exact Mass428.22
IUPAC Name4-[2-[2-methoxy-4-(2-methylimidazol-1-yl)phenyl]-5-propylpyrrol-1-yl]-3-methylbenzamide
SMILESCCCc1ccc(-c2ccc(-n3ccnc3C)cc2OC)n1-c1ccc(C(N)=O)cc1C
InChIInChI=1S/C26H28N4O2/c1-5-6-20-9-12-24(30(20)23-11-7-19(26(27)31)15-17(23)2)22-10-8-21(16-25(22)32-4)29-14-13-28-18(29)3/h7-16H,5-6H2,1-4H3,(H2,27,31)
InChIKeyPVUKTSACHJQYBG-UHFFFAOYSA-N
XLogP5.01
TPSA75.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.54
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_B(29)', 'substructure': 'N/A'}

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Related Compounds

3-{8-[(3,4-Dimethoxyphenyl)amino]imidazo[1,2-A]pyrazin-6-Yl}benzamide
CID 69000930
3-(3-Imidazol-1-yl-propyl)-7-methoxy-3,5-dihydro-pyrimido[5,4-b]indol-4-one
CID 932398
2-[5-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-1H-indol-3-yl]ethanamine
CID 10043339
4-Methoxy-3-[4-(2-methyl-imidazo[4,5-c]pyridin-1-ylmethyl)-benzoyl]-indole-1-carboxylic acid dimethylamide
CID 10790411
N-(4-carbamoylphenyl)-3-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide
CID 44187112
Methyl 4-[[3-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]benzoyl]amino]benzoate
CID 44187114
5-[8-(3,4-Dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]-2-methylbenzamide
CID 44188200
3-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]-N,N-dimethylbenzamide
CID 44188382
3-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]-N-methylbenzamide
CID 44188551
3-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]-N-[4-(1H-imidazol-2-yl)phenyl]benzamide
CID 44189621
2-(5-(3-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-7-carbonyl)-6-methoxy-1-methyl-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide
CID 44426974
N-[3-(3-acetylphenyl)-6-[2-methoxy-phenyl)imidazo [1,2-a]pyridin-8-yl]acetamide
CID 49789743

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-methoxy-4-(2-methylimidazol-1-yl)phenyl]-5-propylpyrrol-1-yl]-3-methylbenzamide?
The IUPAC name of 4-[2-[2-methoxy-4-(2-methylimidazol-1-yl)phenyl]-5-propylpyrrol-1-yl]-3-methylbenzamide (CID 151527615) is 4-[2-[2-methoxy-4-(2-methylimidazol-1-yl)phenyl]-5-propylpyrrol-1-yl]-3-methylbenzamide.
What is the SMILES notation for 4-[2-[2-methoxy-4-(2-methylimidazol-1-yl)phenyl]-5-propylpyrrol-1-yl]-3-methylbenzamide?
The canonical SMILES for 4-[2-[2-methoxy-4-(2-methylimidazol-1-yl)phenyl]-5-propylpyrrol-1-yl]-3-methylbenzamide is CCCc1ccc(-c2ccc(-n3ccnc3C)cc2OC)n1-c1ccc(C(N)=O)cc1C.
What is the InChIKey of 4-[2-[2-methoxy-4-(2-methylimidazol-1-yl)phenyl]-5-propylpyrrol-1-yl]-3-methylbenzamide?
The InChIKey is PVUKTSACHJQYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2/c1-5-6-20-9-12-24(30(20)23-11-7-19(26(27)31)15-17(23)2)22-10-8-21(16-25(22)32-4)29-14-13-28-18(29)3/h7-16H,5-6H2,1-4H3,(H2,27,31).
What are the key properties of 4-[2-[2-methoxy-4-(2-methylimidazol-1-yl)phenyl]-5-propylpyrrol-1-yl]-3-methylbenzamide?
4-[2-[2-methoxy-4-(2-methylimidazol-1-yl)phenyl]-5-propylpyrrol-1-yl]-3-methylbenzamide has a molecular weight of 428.54 g/mol, XLogP of 5.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-methoxy-4-(2-methylimidazol-1-yl)phenyl]-5-propylpyrrol-1-yl]-3-methylbenzamide is sourced from PubChem (CID 151527615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).