1-(2,3-dihydro-1H-inden-5-yl)-2-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]guanidine

C23H24N4O — CID 111079793

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-2-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]guanidine
SMILESN/C(=N\Cc1ccc(Cn2ccccc2=O)cc1)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C23H24N4O/c24-23(26-21-12-11-19-4-3-5-20(19)14-21)25-15-17-7-9-18(10-8-17)16-27-13-2-1-6-22(27)28/h1-2,6-14H,3-5,15-16H2,(H3,24,25,26)
InChIKeyQLQOPTZAANDCOT-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.31
Rot. Bonds5

About 1-(2,3-dihydro-1H-inden-5-yl)-2-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]guanidine

1-(2,3-dihydro-1H-inden-5-yl)-2-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]guanidine (PubChem CID 111079793) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-2-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]guanidine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-2-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]guanidine
PubChem CID111079793
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-2-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]guanidine
SMILESN/C(=N\Cc1ccc(Cn2ccccc2=O)cc1)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C23H24N4O/c24-23(26-21-12-11-19-4-3-5-20(19)14-21)25-15-17-7-9-18(10-8-17)16-27-13-2-1-6-22(27)28/h1-2,6-14H,3-5,15-16H2,(H3,24,25,26)
InChIKeyQLQOPTZAANDCOT-UHFFFAOYSA-N
XLogP3.31
TPSA72.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-benzyl-1-(2,3-dihydro-1H-inden-5-yl)guanidine;hydroiodide
CID 111022842
2-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine
CID 111089241
1-(2,3-dihydro-1H-inden-5-yl)-2-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 111052528
2-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 111721412
1-(2,3-dihydro-1H-inden-5-yl)-2-[[4-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
CID 111033531
methyl N-[4-[[[amino-(2,3-dihydro-1H-inden-5-ylamino)methylidene]amino]methyl]phenyl]carbamate
CID 111066305
methyl N-[4-[[[amino-(2,3-dihydro-1H-inden-5-ylamino)methylidene]amino]methyl]phenyl]carbamate;hydroiodide
CID 111066304
1-(2,3-dihydro-1H-inden-5-yl)-2-[(1-methylpyrrol-3-yl)methyl]guanidine
CID 111721769
1-(2,3-dihydro-1H-inden-5-yl)-2-[(3-fluorophenyl)methyl]guanidine
CID 111044144
1-(2,3-dihydro-1H-inden-5-yl)-2-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]guanidine
CID 111071811
4-[[[amino-(2,3-dihydro-1H-inden-5-ylamino)methylidene]amino]methyl]-N-butan-2-ylbenzamide
CID 111072119
1-(2,3-dihydro-1H-inden-5-yl)-2-[(6-methyl-3-pyridinyl)methyl]guanidine
CID 119118827

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]guanidine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]guanidine (CID 111079793) is 1-(2,3-dihydro-1H-inden-5-yl)-2-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]guanidine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-2-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]guanidine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-2-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]guanidine is N/C(=N\Cc1ccc(Cn2ccccc2=O)cc1)Nc1ccc2c(c1)CCC2.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-2-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]guanidine?
The InChIKey is QLQOPTZAANDCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c24-23(26-21-12-11-19-4-3-5-20(19)14-21)25-15-17-7-9-18(10-8-17)16-27-13-2-1-6-22(27)28/h1-2,6-14H,3-5,15-16H2,(H3,24,25,26).
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-2-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]guanidine?
1-(2,3-dihydro-1H-inden-5-yl)-2-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]guanidine has a molecular weight of 372.47 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-2-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]guanidine is sourced from PubChem (CID 111079793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).