N-[3-(5-methyl-1H-imidazol-4-yl)phenyl]-4-pyrrol-1-ylbenzamide

C21H18N4O — CID 110745870

IUPACN-[3-(5-methyl-1H-imidazol-4-yl)phenyl]-4-pyrrol-1-ylbenzamide
SMILESCc1[nH]cnc1-c1cccc(NC(=O)c2ccc(-n3cccc3)cc2)c1
InChIInChI=1S/C21H18N4O/c1-15-20(23-14-22-15)17-5-4-6-18(13-17)24-21(26)16-7-9-19(10-8-16)25-11-2-3-12-25/h2-14H,1H3,(H,22,23)(H,24,26)
InChIKeyDLXQQDNWORDITG-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.43
Rot. Bonds4

About N-[3-(5-methyl-1H-imidazol-4-yl)phenyl]-4-pyrrol-1-ylbenzamide

N-[3-(5-methyl-1H-imidazol-4-yl)phenyl]-4-pyrrol-1-ylbenzamide (PubChem CID 110745870) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[3-(5-methyl-1H-imidazol-4-yl)phenyl]-4-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-[3-(5-methyl-1H-imidazol-4-yl)phenyl]-4-pyrrol-1-ylbenzamide
PubChem CID110745870
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC NameN-[3-(5-methyl-1H-imidazol-4-yl)phenyl]-4-pyrrol-1-ylbenzamide
SMILESCc1[nH]cnc1-c1cccc(NC(=O)c2ccc(-n3cccc3)cc2)c1
InChIInChI=1S/C21H18N4O/c1-15-20(23-14-22-15)17-5-4-6-18(13-17)24-21(26)16-7-9-19(10-8-16)25-11-2-3-12-25/h2-14H,1H3,(H,22,23)(H,24,26)
InChIKeyDLXQQDNWORDITG-UHFFFAOYSA-N
XLogP4.43
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(5-methyl-1H-imidazol-4-yl)phenyl]benzamide
CID 110735763
N-(5-methyl-1H-pyrazol-3-yl)-4-pyrrol-1-ylbenzamide
CID 47255659
N-[4-(5-methyl-1H-imidazol-4-yl)phenyl]benzamide
CID 110735677
N-(3-methylsulfanylphenyl)-4-pyrrol-1-ylbenzamide
CID 24536258
methyl 4-[3-(5-methyl-1H-imidazol-4-yl)anilino]-4-oxobutanoate
CID 110735757
N-(5-methyl-3-pyridinyl)-4-pyrrol-1-ylbenzamide
CID 110744355
2-(4-ethoxyphenyl)-N-[3-(5-methyl-1H-imidazol-4-yl)phenyl]acetamide
CID 110745856
4-fluoro-N-(4-pyrrol-1-ylphenyl)benzamide
CID 2768248
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-4-pyrrol-1-ylbenzamide
CID 56507056
N-(4-hydroxyphenyl)-4-pyrrol-1-ylbenzamide
CID 39337548
6-oxo-N-(3-pyrrol-1-ylphenyl)-1H-pyridine-3-carboxamide
CID 61242832
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-pyrrol-1-ylbenzamide
CID 26645123

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-methyl-1H-imidazol-4-yl)phenyl]-4-pyrrol-1-ylbenzamide?
The IUPAC name of N-[3-(5-methyl-1H-imidazol-4-yl)phenyl]-4-pyrrol-1-ylbenzamide (CID 110745870) is N-[3-(5-methyl-1H-imidazol-4-yl)phenyl]-4-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-[3-(5-methyl-1H-imidazol-4-yl)phenyl]-4-pyrrol-1-ylbenzamide?
The canonical SMILES for N-[3-(5-methyl-1H-imidazol-4-yl)phenyl]-4-pyrrol-1-ylbenzamide is Cc1[nH]cnc1-c1cccc(NC(=O)c2ccc(-n3cccc3)cc2)c1.
What is the InChIKey of N-[3-(5-methyl-1H-imidazol-4-yl)phenyl]-4-pyrrol-1-ylbenzamide?
The InChIKey is DLXQQDNWORDITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O/c1-15-20(23-14-22-15)17-5-4-6-18(13-17)24-21(26)16-7-9-19(10-8-16)25-11-2-3-12-25/h2-14H,1H3,(H,22,23)(H,24,26).
What are the key properties of N-[3-(5-methyl-1H-imidazol-4-yl)phenyl]-4-pyrrol-1-ylbenzamide?
N-[3-(5-methyl-1H-imidazol-4-yl)phenyl]-4-pyrrol-1-ylbenzamide has a molecular weight of 342.40 g/mol, XLogP of 4.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-methyl-1H-imidazol-4-yl)phenyl]-4-pyrrol-1-ylbenzamide is sourced from PubChem (CID 110745870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).