N,N-dimethyl-3-[[5-[6-(oxan-4-yl)pyrimido[1,2-a]benzimidazol-3-yl]-2-pyridinyl]oxy]propan-1-amine

C25H29N5O2 — CID 142413716

IUPACN,N-dimethyl-3-[[5-[6-(oxan-4-yl)pyrimido[1,2-a]benzimidazol-3-yl]-2-pyridinyl]oxy]propan-1-amine
SMILESCN(C)CCCOc1ccc(-c2cnc3nc4cccc(C5CCOCC5)c4n3c2)cn1
InChIInChI=1S/C25H29N5O2/c1-29(2)11-4-12-32-23-8-7-19(15-26-23)20-16-27-25-28-22-6-3-5-21(24(22)30(25)17-20)18-9-13-31-14-10-18/h3,5-8,15-18H,4,9-14H2,1-2H3
InChIKeyRNZQBKRPKWNKAA-UHFFFAOYSA-N
MW431.54 g/mol
LogP4.17
Rot. Bonds7

About N,N-dimethyl-3-[[5-[6-(oxan-4-yl)pyrimido[1,2-a]benzimidazol-3-yl]-2-pyridinyl]oxy]propan-1-amine

N,N-dimethyl-3-[[5-[6-(oxan-4-yl)pyrimido[1,2-a]benzimidazol-3-yl]-2-pyridinyl]oxy]propan-1-amine (PubChem CID 142413716) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is N,N-dimethyl-3-[[5-[6-(oxan-4-yl)pyrimido[1,2-a]benzimidazol-3-yl]-2-pyridinyl]oxy]propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[[5-[6-(oxan-4-yl)pyrimido[1,2-a]benzimidazol-3-yl]-2-pyridinyl]oxy]propan-1-amine
PubChem CID142413716
Molecular FormulaC25H29N5O2
Molecular Weight431.54 g/mol
Exact Mass431.23
IUPAC NameN,N-dimethyl-3-[[5-[6-(oxan-4-yl)pyrimido[1,2-a]benzimidazol-3-yl]-2-pyridinyl]oxy]propan-1-amine
SMILESCN(C)CCCOc1ccc(-c2cnc3nc4cccc(C5CCOCC5)c4n3c2)cn1
InChIInChI=1S/C25H29N5O2/c1-29(2)11-4-12-32-23-8-7-19(15-26-23)20-16-27-25-28-22-6-3-5-21(24(22)30(25)17-20)18-9-13-31-14-10-18/h3,5-8,15-18H,4,9-14H2,1-2H3
InChIKeyRNZQBKRPKWNKAA-UHFFFAOYSA-N
XLogP4.17
TPSA64.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-3-[[5-[9-(1-methylpiperidin-4-yl)oxypyrido[1,2-a]benzimidazol-2-yl]-2-pyridinyl]oxy]propan-1-amine
CID 142413740
N,N-dimethyl-3-[[5-(9-phenylmethoxypyrido[1,2-a]benzimidazol-2-yl)-2-pyridinyl]oxy]propan-1-amine
CID 142413732
3-[[5-[9-(1H-imidazol-5-yl)pyrido[1,2-a]benzimidazol-2-yl]-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
CID 142413761
6-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one
CID 175844798
N,N-dimethyl-3-[[5-[3-methyl-1-[(3S)-oxolan-3-yl]-2H-imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]oxy]propan-1-amine
CID 134377286
3-[[5-(4-tert-butylphenyl)-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
CID 146089357
8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-1-[(3R)-oxolan-3-yl]-2H-imidazo[4,5-c]quinolin-2-ol
CID 134377485
8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-1-(4-methyloxan-4-yl)imidazo[4,5-c]quinolin-2-one
CID 118502921
8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-4-(4-methyloxan-4-yl)-1H-imidazo[4,5-c]quinolin-2-one
CID 118498614
1-[3-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]phenyl]ethanone
CID 126469961
6-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-4-[methyl-[(1S)-1-(oxan-4-yl)ethyl]amino]cinnoline-3-carboxamide
CID 139314889
3-[[5-(2-fluorophenyl)-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
CID 126471087

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[[5-[6-(oxan-4-yl)pyrimido[1,2-a]benzimidazol-3-yl]-2-pyridinyl]oxy]propan-1-amine?
The IUPAC name of N,N-dimethyl-3-[[5-[6-(oxan-4-yl)pyrimido[1,2-a]benzimidazol-3-yl]-2-pyridinyl]oxy]propan-1-amine (CID 142413716) is N,N-dimethyl-3-[[5-[6-(oxan-4-yl)pyrimido[1,2-a]benzimidazol-3-yl]-2-pyridinyl]oxy]propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-[[5-[6-(oxan-4-yl)pyrimido[1,2-a]benzimidazol-3-yl]-2-pyridinyl]oxy]propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-[[5-[6-(oxan-4-yl)pyrimido[1,2-a]benzimidazol-3-yl]-2-pyridinyl]oxy]propan-1-amine is CN(C)CCCOc1ccc(-c2cnc3nc4cccc(C5CCOCC5)c4n3c2)cn1.
What is the InChIKey of N,N-dimethyl-3-[[5-[6-(oxan-4-yl)pyrimido[1,2-a]benzimidazol-3-yl]-2-pyridinyl]oxy]propan-1-amine?
The InChIKey is RNZQBKRPKWNKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2/c1-29(2)11-4-12-32-23-8-7-19(15-26-23)20-16-27-25-28-22-6-3-5-21(24(22)30(25)17-20)18-9-13-31-14-10-18/h3,5-8,15-18H,4,9-14H2,1-2H3.
What are the key properties of N,N-dimethyl-3-[[5-[6-(oxan-4-yl)pyrimido[1,2-a]benzimidazol-3-yl]-2-pyridinyl]oxy]propan-1-amine?
N,N-dimethyl-3-[[5-[6-(oxan-4-yl)pyrimido[1,2-a]benzimidazol-3-yl]-2-pyridinyl]oxy]propan-1-amine has a molecular weight of 431.54 g/mol, XLogP of 4.17, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[[5-[6-(oxan-4-yl)pyrimido[1,2-a]benzimidazol-3-yl]-2-pyridinyl]oxy]propan-1-amine is sourced from PubChem (CID 142413716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).