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2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide

C19H20N4O2 — CID 51076004

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
SMILESCN(CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)C1CCc2ccccc21
InChIInChI=1S/C19H20N4O2/c1-23(17-9-6-12-4-2-3-5-14(12)17)11-18(24)20-13-7-8-15-16(10-13)22-19(25)21-15/h2-5,7-8,10,17H,6,9,11H2,1H3,(H,20,24)(H2,21,22,25)
InChIKeyYVYLMHVDNFPIDU-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.41
Rot. Bonds4

About 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide

2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide (PubChem CID 51076004) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
PubChem CID51076004
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
SMILESCN(CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)C1CCc2ccccc21
InChIInChI=1S/C19H20N4O2/c1-23(17-9-6-12-4-2-3-5-14(12)17)11-18(24)20-13-7-8-15-16(10-13)22-19(25)21-15/h2-5,7-8,10,17H,6,9,11H2,1H3,(H,20,24)(H2,21,22,25)
InChIKeyYVYLMHVDNFPIDU-UHFFFAOYSA-N
XLogP2.41
TPSA80.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
The IUPAC name of 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide (CID 51076004) is 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide.
What is the SMILES notation for 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
The canonical SMILES for 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide is CN(CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)C1CCc2ccccc21.
What is the InChIKey of 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
The InChIKey is YVYLMHVDNFPIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-23(17-9-6-12-4-2-3-5-14(12)17)11-18(24)20-13-7-8-15-16(10-13)22-19(25)21-15/h2-5,7-8,10,17H,6,9,11H2,1H3,(H,20,24)(H2,21,22,25).
What are the key properties of 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide has a molecular weight of 336.40 g/mol, XLogP of 2.41, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide is sourced from PubChem (CID 51076004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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