4-(1-benzothiophen-3-yl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzamide

C26H21N3O2S — CID 67808033

IUPAC4-(1-benzothiophen-3-yl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzamide
SMILESCOc1cc(NC(=O)c2ccc(-c3csc4ccccc34)cc2)ccc1-n1cnc(C)c1
InChIInChI=1S/C26H21N3O2S/c1-17-14-29(16-27-17)23-12-11-20(13-24(23)31-2)28-26(30)19-9-7-18(8-10-19)22-15-32-25-6-4-3-5-21(22)25/h3-16H,1-2H3,(H,28,30)
InChIKeyJNKKCOWTWXJOIQ-UHFFFAOYSA-N
MW439.54 g/mol
LogP6.32
Rot. Bonds5

About 4-(1-benzothiophen-3-yl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzamide

4-(1-benzothiophen-3-yl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzamide (PubChem CID 67808033) has the molecular formula C26H21N3O2S and a molecular weight of 439.54 g/mol. Its IUPAC name is 4-(1-benzothiophen-3-yl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-(1-benzothiophen-3-yl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzamide
PubChem CID67808033
Molecular FormulaC26H21N3O2S
Molecular Weight439.54 g/mol
Exact Mass439.14
IUPAC Name4-(1-benzothiophen-3-yl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzamide
SMILESCOc1cc(NC(=O)c2ccc(-c3csc4ccccc34)cc2)ccc1-n1cnc(C)c1
InChIInChI=1S/C26H21N3O2S/c1-17-14-29(16-27-17)23-12-11-20(13-24(23)31-2)28-26(30)19-9-7-18(8-10-19)22-15-32-25-6-4-3-5-21(22)25/h3-16H,1-2H3,(H,28,30)
InChIKeyJNKKCOWTWXJOIQ-UHFFFAOYSA-N
XLogP6.32
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.54
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-fluorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzamide
CID 67807911
N-[4-[2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]sulfamoyl]phenyl]phenyl]acetamide
CID 67809218
[2-(4-fluorophenyl)phenyl]-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methanone
CID 166069593
3-methoxy-4-(4-methylimidazol-1-yl)benzohydrazide;dihydrochloride
CID 66607849
1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-3-(3-phenylpropyl)urea
CID 24855735
2-(4-chlorobenzoyl)-N-[4-methoxy-3-(4-methylimidazol-1-yl)phenyl]benzamide
CID 67809152
2-[2-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-5-phenylpyrimidin-4-yl]-2-phenylacetic acid
CID 68630360
benzyl N-[[3-methoxy-4-(4-methylimidazol-1-yl)benzoyl]amino]carbamate
CID 66618835
2-[3,5-bis(trifluoromethyl)phenyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]acetamide
CID 72543944
1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]urea
CID 24855696
N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5-phenyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine
CID 177241909
3-methoxy-4-(4-methylimidazol-1-yl)-N-[5-methyl-4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]benzamide
CID 46899010

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzothiophen-3-yl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzamide?
The IUPAC name of 4-(1-benzothiophen-3-yl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzamide (CID 67808033) is 4-(1-benzothiophen-3-yl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzamide.
What is the SMILES notation for 4-(1-benzothiophen-3-yl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzamide?
The canonical SMILES for 4-(1-benzothiophen-3-yl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzamide is COc1cc(NC(=O)c2ccc(-c3csc4ccccc34)cc2)ccc1-n1cnc(C)c1.
What is the InChIKey of 4-(1-benzothiophen-3-yl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzamide?
The InChIKey is JNKKCOWTWXJOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O2S/c1-17-14-29(16-27-17)23-12-11-20(13-24(23)31-2)28-26(30)19-9-7-18(8-10-19)22-15-32-25-6-4-3-5-21(22)25/h3-16H,1-2H3,(H,28,30).
What are the key properties of 4-(1-benzothiophen-3-yl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzamide?
4-(1-benzothiophen-3-yl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzamide has a molecular weight of 439.54 g/mol, XLogP of 6.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzothiophen-3-yl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzamide is sourced from PubChem (CID 67808033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).