N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide

C19H18N4O2 — CID 56748071

IUPACN-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide
SMILESCc1ccc2nc(CNC(=O)CC3NC(=O)c4ccccc43)[nH]c2c1
InChIInChI=1S/C19H18N4O2/c1-11-6-7-14-16(8-11)22-17(21-14)10-20-18(24)9-15-12-4-2-3-5-13(12)19(25)23-15/h2-8,15H,9-10H2,1H3,(H,20,24)(H,21,22)(H,23,25)
InChIKeyMERMIUWBLODHQW-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.36
Rot. Bonds4

About N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide

N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide (PubChem CID 56748071) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide
PubChem CID56748071
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC NameN-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide
SMILESCc1ccc2nc(CNC(=O)CC3NC(=O)c4ccccc43)[nH]c2c1
InChIInChI=1S/C19H18N4O2/c1-11-6-7-14-16(8-11)22-17(21-14)10-20-18(24)9-15-12-4-2-3-5-13(12)19(25)23-15/h2-8,15H,9-10H2,1H3,(H,20,24)(H,21,22)(H,23,25)
InChIKeyMERMIUWBLODHQW-UHFFFAOYSA-N
XLogP2.36
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide
CID 97496646
2-amino-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]acetamide;hydrochloride
CID 119326371
N-[(6-methyl-1H-benzimidazol-2-yl)methyl]benzamide
CID 924710
N-benzyl-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide
CID 7678919
2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]acetamide
CID 56861398
4,4,4-trifluoro-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]butanamide
CID 91832737
N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-(3-methyl-5-oxo-1-phenyl-1,2,4-triazol-4-yl)acetamide
CID 70779648
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide
CID 126828535
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide
CID 56742276
2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 40535831
N-[(2,6-dimethoxyphenyl)methyl]-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide
CID 95126376
2-[(6-methyl-1H-benzimidazol-2-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119185454

Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide?
The IUPAC name of N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide (CID 56748071) is N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide.
What is the SMILES notation for N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide?
The canonical SMILES for N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide is Cc1ccc2nc(CNC(=O)CC3NC(=O)c4ccccc43)[nH]c2c1.
What is the InChIKey of N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide?
The InChIKey is MERMIUWBLODHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-11-6-7-14-16(8-11)22-17(21-14)10-20-18(24)9-15-12-4-2-3-5-13(12)19(25)23-15/h2-8,15H,9-10H2,1H3,(H,20,24)(H,21,22)(H,23,25).
What are the key properties of N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide?
N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide has a molecular weight of 334.38 g/mol, XLogP of 2.36, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide is sourced from PubChem (CID 56748071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).