8-methoxy-N-[6-(2-methoxyethoxy)-3-pyridinyl]pyrimido[1,2-a]benzimidazole-2-carboxamide

C20H19N5O4 — CID 126617746

IUPAC8-methoxy-N-[6-(2-methoxyethoxy)-3-pyridinyl]pyrimido[1,2-a]benzimidazole-2-carboxamide
SMILESCOCCOc1ccc(NC(=O)c2ccn3c(n2)nc2cc(OC)ccc23)cn1
InChIInChI=1S/C20H19N5O4/c1-27-9-10-29-18-6-3-13(12-21-18)22-19(26)15-7-8-25-17-5-4-14(28-2)11-16(17)24-20(25)23-15/h3-8,11-12H,9-10H2,1-2H3,(H,22,26)
InChIKeyHZRRIUNSTQRKOL-UHFFFAOYSA-N
MW393.40 g/mol
LogP2.56
Rot. Bonds7

About 8-methoxy-N-[6-(2-methoxyethoxy)-3-pyridinyl]pyrimido[1,2-a]benzimidazole-2-carboxamide

8-methoxy-N-[6-(2-methoxyethoxy)-3-pyridinyl]pyrimido[1,2-a]benzimidazole-2-carboxamide (PubChem CID 126617746) has the molecular formula C20H19N5O4 and a molecular weight of 393.40 g/mol. Its IUPAC name is 8-methoxy-N-[6-(2-methoxyethoxy)-3-pyridinyl]pyrimido[1,2-a]benzimidazole-2-carboxamide.

Molecular Properties

Compound Name8-methoxy-N-[6-(2-methoxyethoxy)-3-pyridinyl]pyrimido[1,2-a]benzimidazole-2-carboxamide
PubChem CID126617746
Molecular FormulaC20H19N5O4
Molecular Weight393.40 g/mol
Exact Mass393.14
IUPAC Name8-methoxy-N-[6-(2-methoxyethoxy)-3-pyridinyl]pyrimido[1,2-a]benzimidazole-2-carboxamide
SMILESCOCCOc1ccc(NC(=O)c2ccn3c(n2)nc2cc(OC)ccc23)cn1
InChIInChI=1S/C20H19N5O4/c1-27-9-10-29-18-6-3-13(12-21-18)22-19(26)15-7-8-25-17-5-4-14(28-2)11-16(17)24-20(25)23-15/h3-8,11-12H,9-10H2,1-2H3,(H,22,26)
InChIKeyHZRRIUNSTQRKOL-UHFFFAOYSA-N
XLogP2.56
TPSA99.87 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-[6-(2-fluoroethoxy)-3-pyridinyl]pyrimido[1,2-a]benzimidazole-2-carboxamide
CID 126617797
7-bromo-N-(5-methoxy-3-pyridinyl)pyrimido[1,2-a]benzimidazole-2-carboxamide
CID 126617771
N-[6-(2-methoxyethoxy)-3-pyridinyl]-2H-triazole-4-carboxamide
CID 112733407
N-[6-(2-methoxyethoxy)-3-pyridinyl]pyrazine-2-carboxamide
CID 43069859
2-(aminomethyl)-N-[6-(2-methoxyethoxy)-3-pyridinyl]-1,3-thiazole-4-carboxamide
CID 66376658
N-(7-methoxyquinolin-3-yl)-1-methylpyrazole-3-carboxamide
CID 95744911
2-bromo-5-methoxy-N-(6-methoxy-3-pyridinyl)benzamide
CID 27645934
4-chloro-N-[6-(2-methoxyethoxy)-3-pyridinyl]pyridine-3-carboxamide
CID 81228254
1-[(4-fluorophenoxy)methyl]-N-(7-methoxyquinolin-3-yl)pyrazole-3-carboxamide
CID 95744924
N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-(methylamino)acetamide
CID 43704151
2-bromo-N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-methylpropanamide
CID 100773616
5-chloro-N-[6-(2-methoxyethoxy)-3-pyridinyl]pentanamide
CID 43697910

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-N-[6-(2-methoxyethoxy)-3-pyridinyl]pyrimido[1,2-a]benzimidazole-2-carboxamide?
The IUPAC name of 8-methoxy-N-[6-(2-methoxyethoxy)-3-pyridinyl]pyrimido[1,2-a]benzimidazole-2-carboxamide (CID 126617746) is 8-methoxy-N-[6-(2-methoxyethoxy)-3-pyridinyl]pyrimido[1,2-a]benzimidazole-2-carboxamide.
What is the SMILES notation for 8-methoxy-N-[6-(2-methoxyethoxy)-3-pyridinyl]pyrimido[1,2-a]benzimidazole-2-carboxamide?
The canonical SMILES for 8-methoxy-N-[6-(2-methoxyethoxy)-3-pyridinyl]pyrimido[1,2-a]benzimidazole-2-carboxamide is COCCOc1ccc(NC(=O)c2ccn3c(n2)nc2cc(OC)ccc23)cn1.
What is the InChIKey of 8-methoxy-N-[6-(2-methoxyethoxy)-3-pyridinyl]pyrimido[1,2-a]benzimidazole-2-carboxamide?
The InChIKey is HZRRIUNSTQRKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O4/c1-27-9-10-29-18-6-3-13(12-21-18)22-19(26)15-7-8-25-17-5-4-14(28-2)11-16(17)24-20(25)23-15/h3-8,11-12H,9-10H2,1-2H3,(H,22,26).
What are the key properties of 8-methoxy-N-[6-(2-methoxyethoxy)-3-pyridinyl]pyrimido[1,2-a]benzimidazole-2-carboxamide?
8-methoxy-N-[6-(2-methoxyethoxy)-3-pyridinyl]pyrimido[1,2-a]benzimidazole-2-carboxamide has a molecular weight of 393.40 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-N-[6-(2-methoxyethoxy)-3-pyridinyl]pyrimido[1,2-a]benzimidazole-2-carboxamide is sourced from PubChem (CID 126617746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).