1-benzyl-N-[(1-methylbenzimidazol-2-yl)methyl]pyrrole-2-carboxamide

C21H20N4O — CID 134022967

IUPAC1-benzyl-N-[(1-methylbenzimidazol-2-yl)methyl]pyrrole-2-carboxamide
SMILESCn1c(CNC(=O)c2cccn2Cc2ccccc2)nc2ccccc21
InChIInChI=1S/C21H20N4O/c1-24-18-11-6-5-10-17(18)23-20(24)14-22-21(26)19-12-7-13-25(19)15-16-8-3-2-4-9-16/h2-13H,14-15H2,1H3,(H,22,26)
InChIKeyWTSGFNROSLKOHH-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.35
Rot. Bonds5

About 1-benzyl-N-[(1-methylbenzimidazol-2-yl)methyl]pyrrole-2-carboxamide

1-benzyl-N-[(1-methylbenzimidazol-2-yl)methyl]pyrrole-2-carboxamide (PubChem CID 134022967) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is 1-benzyl-N-[(1-methylbenzimidazol-2-yl)methyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[(1-methylbenzimidazol-2-yl)methyl]pyrrole-2-carboxamide
PubChem CID134022967
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name1-benzyl-N-[(1-methylbenzimidazol-2-yl)methyl]pyrrole-2-carboxamide
SMILESCn1c(CNC(=O)c2cccn2Cc2ccccc2)nc2ccccc21
InChIInChI=1S/C21H20N4O/c1-24-18-11-6-5-10-17(18)23-20(24)14-22-21(26)19-12-7-13-25(19)15-16-8-3-2-4-9-16/h2-13H,14-15H2,1H3,(H,22,26)
InChIKeyWTSGFNROSLKOHH-UHFFFAOYSA-N
XLogP3.35
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide
CID 17007407
2-hydroxy-N-[(1-methylbenzimidazol-2-yl)methyl]-2-phenylacetamide
CID 47012390
N-[(1-methylbenzimidazol-2-yl)methyl]-3-[(2-phenylacetyl)amino]propanamide
CID 134012185
3-[(1-methylbenzimidazol-2-yl)methylcarbamoyl]benzoic acid
CID 75514350
1-benzyl-N-[(2S)-2-hydroxypropyl]pyrrole-2-carboxamide
CID 83029854
2-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide
CID 17007726
3-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]propanamide
CID 75489076
N-[(1-methylbenzimidazol-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 126797185
1-benzyl-2-methyl-3-[(1-methylbenzimidazol-2-yl)methyl]guanidine;hydroiodide
CID 110954297
N-[(1-methylbenzimidazol-2-yl)methyl]-2-(phenylcarbamoylamino)acetamide
CID 24583701
3-(benzylsulfamoyl)-4-chloro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide
CID 17480323
2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-1,3-dioxoisoindole-5-carboxamide
CID 134012176

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(1-methylbenzimidazol-2-yl)methyl]pyrrole-2-carboxamide?
The IUPAC name of 1-benzyl-N-[(1-methylbenzimidazol-2-yl)methyl]pyrrole-2-carboxamide (CID 134022967) is 1-benzyl-N-[(1-methylbenzimidazol-2-yl)methyl]pyrrole-2-carboxamide.
What is the SMILES notation for 1-benzyl-N-[(1-methylbenzimidazol-2-yl)methyl]pyrrole-2-carboxamide?
The canonical SMILES for 1-benzyl-N-[(1-methylbenzimidazol-2-yl)methyl]pyrrole-2-carboxamide is Cn1c(CNC(=O)c2cccn2Cc2ccccc2)nc2ccccc21.
What is the InChIKey of 1-benzyl-N-[(1-methylbenzimidazol-2-yl)methyl]pyrrole-2-carboxamide?
The InChIKey is WTSGFNROSLKOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c1-24-18-11-6-5-10-17(18)23-20(24)14-22-21(26)19-12-7-13-25(19)15-16-8-3-2-4-9-16/h2-13H,14-15H2,1H3,(H,22,26).
What are the key properties of 1-benzyl-N-[(1-methylbenzimidazol-2-yl)methyl]pyrrole-2-carboxamide?
1-benzyl-N-[(1-methylbenzimidazol-2-yl)methyl]pyrrole-2-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(1-methylbenzimidazol-2-yl)methyl]pyrrole-2-carboxamide is sourced from PubChem (CID 134022967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).