3-[[5-[9-(1H-imidazol-5-yl)pyrido[1,2-a]benzimidazol-2-yl]-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine

C24H24N6O — CID 142413761

IUPAC3-[[5-[9-(1H-imidazol-5-yl)pyrido[1,2-a]benzimidazol-2-yl]-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCOc1ccc(-c2ccc3nc4cccc(-c5cnc[nH]5)c4n3c2)cn1
InChIInChI=1S/C24H24N6O/c1-29(2)11-4-12-31-23-10-8-17(13-26-23)18-7-9-22-28-20-6-3-5-19(21-14-25-16-27-21)24(20)30(22)15-18/h3,5-10,13-16H,4,11-12H2,1-2H3,(H,25,27)
InChIKeyDEDUFSWDMDTRTR-UHFFFAOYSA-N
MW412.50 g/mol
LogP4.27
Rot. Bonds7

About 3-[[5-[9-(1H-imidazol-5-yl)pyrido[1,2-a]benzimidazol-2-yl]-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine

3-[[5-[9-(1H-imidazol-5-yl)pyrido[1,2-a]benzimidazol-2-yl]-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine (PubChem CID 142413761) has the molecular formula C24H24N6O and a molecular weight of 412.50 g/mol. Its IUPAC name is 3-[[5-[9-(1H-imidazol-5-yl)pyrido[1,2-a]benzimidazol-2-yl]-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[[5-[9-(1H-imidazol-5-yl)pyrido[1,2-a]benzimidazol-2-yl]-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
PubChem CID142413761
Molecular FormulaC24H24N6O
Molecular Weight412.50 g/mol
Exact Mass412.20
IUPAC Name3-[[5-[9-(1H-imidazol-5-yl)pyrido[1,2-a]benzimidazol-2-yl]-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCOc1ccc(-c2ccc3nc4cccc(-c5cnc[nH]5)c4n3c2)cn1
InChIInChI=1S/C24H24N6O/c1-29(2)11-4-12-31-23-10-8-17(13-26-23)18-7-9-22-28-20-6-3-5-19(21-14-25-16-27-21)24(20)30(22)15-18/h3,5-10,13-16H,4,11-12H2,1-2H3,(H,25,27)
InChIKeyDEDUFSWDMDTRTR-UHFFFAOYSA-N
XLogP4.27
TPSA71.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.50
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-[9-(1H-imidazol-5-yl)pyrido[1,2-a]benzimidazol-2-yl]-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[[5-[9-(1H-imidazol-5-yl)pyrido[1,2-a]benzimidazol-2-yl]-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine (CID 142413761) is 3-[[5-[9-(1H-imidazol-5-yl)pyrido[1,2-a]benzimidazol-2-yl]-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[[5-[9-(1H-imidazol-5-yl)pyrido[1,2-a]benzimidazol-2-yl]-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[[5-[9-(1H-imidazol-5-yl)pyrido[1,2-a]benzimidazol-2-yl]-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine is CN(C)CCCOc1ccc(-c2ccc3nc4cccc(-c5cnc[nH]5)c4n3c2)cn1.
What is the InChIKey of 3-[[5-[9-(1H-imidazol-5-yl)pyrido[1,2-a]benzimidazol-2-yl]-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine?
The InChIKey is DEDUFSWDMDTRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O/c1-29(2)11-4-12-31-23-10-8-17(13-26-23)18-7-9-22-28-20-6-3-5-19(21-14-25-16-27-21)24(20)30(22)15-18/h3,5-10,13-16H,4,11-12H2,1-2H3,(H,25,27).
What are the key properties of 3-[[5-[9-(1H-imidazol-5-yl)pyrido[1,2-a]benzimidazol-2-yl]-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine?
3-[[5-[9-(1H-imidazol-5-yl)pyrido[1,2-a]benzimidazol-2-yl]-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine has a molecular weight of 412.50 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-[9-(1H-imidazol-5-yl)pyrido[1,2-a]benzimidazol-2-yl]-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 142413761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).