N,N-dimethyl-3-[[5-[9-(1-methylpiperidin-4-yl)oxypyrido[1,2-a]benzimidazol-2-yl]-2-pyridinyl]oxy]propan-1-amine

C27H33N5O2 — CID 142413740

IUPACN,N-dimethyl-3-[[5-[9-(1-methylpiperidin-4-yl)oxypyrido[1,2-a]benzimidazol-2-yl]-2-pyridinyl]oxy]propan-1-amine
SMILESCN(C)CCCOc1ccc(-c2ccc3nc4cccc(OC5CCN(C)CC5)c4n3c2)cn1
InChIInChI=1S/C27H33N5O2/c1-30(2)14-5-17-33-26-11-9-20(18-28-26)21-8-10-25-29-23-6-4-7-24(27(23)32(25)19-21)34-22-12-15-31(3)16-13-22/h4,6-11,18-19,22H,5,12-17H2,1-3H3
InChIKeyJWWOLQUCGHVXHB-UHFFFAOYSA-N
MW459.59 g/mol
LogP4.35
Rot. Bonds8

About N,N-dimethyl-3-[[5-[9-(1-methylpiperidin-4-yl)oxypyrido[1,2-a]benzimidazol-2-yl]-2-pyridinyl]oxy]propan-1-amine

N,N-dimethyl-3-[[5-[9-(1-methylpiperidin-4-yl)oxypyrido[1,2-a]benzimidazol-2-yl]-2-pyridinyl]oxy]propan-1-amine (PubChem CID 142413740) has the molecular formula C27H33N5O2 and a molecular weight of 459.59 g/mol. Its IUPAC name is N,N-dimethyl-3-[[5-[9-(1-methylpiperidin-4-yl)oxypyrido[1,2-a]benzimidazol-2-yl]-2-pyridinyl]oxy]propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[[5-[9-(1-methylpiperidin-4-yl)oxypyrido[1,2-a]benzimidazol-2-yl]-2-pyridinyl]oxy]propan-1-amine
PubChem CID142413740
Molecular FormulaC27H33N5O2
Molecular Weight459.59 g/mol
Exact Mass459.26
IUPAC NameN,N-dimethyl-3-[[5-[9-(1-methylpiperidin-4-yl)oxypyrido[1,2-a]benzimidazol-2-yl]-2-pyridinyl]oxy]propan-1-amine
SMILESCN(C)CCCOc1ccc(-c2ccc3nc4cccc(OC5CCN(C)CC5)c4n3c2)cn1
InChIInChI=1S/C27H33N5O2/c1-30(2)14-5-17-33-26-11-9-20(18-28-26)21-8-10-25-29-23-6-4-7-24(27(23)32(25)19-21)34-22-12-15-31(3)16-13-22/h4,6-11,18-19,22H,5,12-17H2,1-3H3
InChIKeyJWWOLQUCGHVXHB-UHFFFAOYSA-N
XLogP4.35
TPSA55.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.59
LogP ≤ 54.35
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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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[[5-[9-(1-methylpiperidin-4-yl)oxypyrido[1,2-a]benzimidazol-2-yl]-2-pyridinyl]oxy]propan-1-amine?
The IUPAC name of 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) is N,N-dimethyl-3-[[5-[9-(1-methylpiperidin-4-yl)oxypyrido[1,2-a]benzimidazol-2-yl]-2-pyridinyl]oxy]propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-[[5-[9-(1-methylpiperidin-4-yl)oxypyrido[1,2-a]benzimidazol-2-yl]-2-pyridinyl]oxy]propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-[[5-[9-(1-methylpiperidin-4-yl)oxypyrido[1,2-a]benzimidazol-2-yl]-2-pyridinyl]oxy]propan-1-amine is CN(C)CCCOc1ccc(-c2ccc3nc4cccc(OC5CCN(C)CC5)c4n3c2)cn1.
What is the InChIKey of N,N-dimethyl-3-[[5-[9-(1-methylpiperidin-4-yl)oxypyrido[1,2-a]benzimidazol-2-yl]-2-pyridinyl]oxy]propan-1-amine?
The InChIKey is JWWOLQUCGHVXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O2/c1-30(2)14-5-17-33-26-11-9-20(18-28-26)21-8-10-25-29-23-6-4-7-24(27(23)32(25)19-21)34-22-12-15-31(3)16-13-22/h4,6-11,18-19,22H,5,12-17H2,1-3H3.
What are the key properties of N,N-dimethyl-3-[[5-[9-(1-methylpiperidin-4-yl)oxypyrido[1,2-a]benzimidazol-2-yl]-2-pyridinyl]oxy]propan-1-amine?
N,N-dimethyl-3-[[5-[9-(1-methylpiperidin-4-yl)oxypyrido[1,2-a]benzimidazol-2-yl]-2-pyridinyl]oxy]propan-1-amine has a molecular weight of 459.59 g/mol, XLogP of 4.35, 8 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-[9-(1-methylpiperidin-4-yl)oxypyrido[1,2-a]benzimidazol-2-yl]-2-pyridinyl]oxy]propan-1-amine is sourced from PubChem (CID 142413740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).