2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]acetamide

C20H20N4O — CID 42519834

IUPAC2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]acetamide
SMILESO=C(C[C@@H]1CCc2ccccc21)NCc1cccnc1-n1ccnc1
InChIInChI=1S/C20H20N4O/c25-19(12-16-8-7-15-4-1-2-6-18(15)16)23-13-17-5-3-9-22-20(17)24-11-10-21-14-24/h1-6,9-11,14,16H,7-8,12-13H2,(H,23,25)/t16-/m0/s1
InChIKeyVLSCLTKVOPIMCR-INIZCTEOSA-N
MW332.41 g/mol
LogP3.00
Rot. Bonds5

About 2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]acetamide

2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]acetamide (PubChem CID 42519834) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]acetamide
PubChem CID42519834
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]acetamide
SMILESO=C(C[C@@H]1CCc2ccccc21)NCc1cccnc1-n1ccnc1
InChIInChI=1S/C20H20N4O/c25-19(12-16-8-7-15-4-1-2-6-18(15)16)23-13-17-5-3-9-22-20(17)24-11-10-21-14-24/h1-6,9-11,14,16H,7-8,12-13H2,(H,23,25)/t16-/m0/s1
InChIKeyVLSCLTKVOPIMCR-INIZCTEOSA-N
XLogP3.00
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]acetamide with MolForge

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Related Compounds

2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(2-imidazol-1-ylethyl)acetamide
CID 95125863
2-(2,3-dihydro-1H-inden-1-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 72911353
2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-(2-pyridin-4-ylethyl)acetamide
CID 97149134
N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2-(5-oxo-2-phenylcyclopenten-1-yl)acetamide
CID 56711373
1-(2,3-dihydro-1H-inden-1-ylmethyl)-3-[(4-imidazol-1-ylphenyl)methyl]urea
CID 126771139
2-(2,3-dihydro-1H-inden-1-yl)-N-[[4-(hydroxymethyl)phenyl]methyl]acetamide
CID 77089339
N-[(4-bromophenyl)methyl]-2-(2,3-dihydro-1H-inden-1-yl)acetamide
CID 86955694
N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-3-thiophen-2-ylpropanamide
CID 37194009
N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 37185608
(2R)-2-amino-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]propanamide;dihydrochloride
CID 119848231
2-[4-(difluoromethoxy)phenyl]-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]acetamide
CID 37192727
N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 45248847

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]acetamide?
The IUPAC name of 2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]acetamide (CID 42519834) is 2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]acetamide is O=C(C[C@@H]1CCc2ccccc21)NCc1cccnc1-n1ccnc1.
What is the InChIKey of 2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]acetamide?
The InChIKey is VLSCLTKVOPIMCR-INIZCTEOSA-N. The full InChI is InChI=1S/C20H20N4O/c25-19(12-16-8-7-15-4-1-2-6-18(15)16)23-13-17-5-3-9-22-20(17)24-11-10-21-14-24/h1-6,9-11,14,16H,7-8,12-13H2,(H,23,25)/t16-/m0/s1.
What are the key properties of 2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]acetamide?
2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]acetamide has a molecular weight of 332.41 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]acetamide is sourced from PubChem (CID 42519834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).