N-[(3-ethoxy-4-methoxyphenyl)methyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide

C22H25N3O3 — CID 22579481

IUPACN-[(3-ethoxy-4-methoxyphenyl)methyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide
SMILESCCOc1cc(CNC(=O)c2ccc3c(c2)nc2n3CCCC2)ccc1OC
InChIInChI=1S/C22H25N3O3/c1-3-28-20-12-15(7-10-19(20)27-2)14-23-22(26)16-8-9-18-17(13-16)24-21-6-4-5-11-25(18)21/h7-10,12-13H,3-6,11,14H2,1-2H3,(H,23,26)
InChIKeyQBJKAKQHCLUGJO-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.71
Rot. Bonds6

About N-[(3-ethoxy-4-methoxyphenyl)methyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide

N-[(3-ethoxy-4-methoxyphenyl)methyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide (PubChem CID 22579481) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[(3-ethoxy-4-methoxyphenyl)methyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide.

Molecular Properties

Compound NameN-[(3-ethoxy-4-methoxyphenyl)methyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide
PubChem CID22579481
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN-[(3-ethoxy-4-methoxyphenyl)methyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide
SMILESCCOc1cc(CNC(=O)c2ccc3c(c2)nc2n3CCCC2)ccc1OC
InChIInChI=1S/C22H25N3O3/c1-3-28-20-12-15(7-10-19(20)27-2)14-23-22(26)16-8-9-18-17(13-16)24-21-6-4-5-11-25(18)21/h7-10,12-13H,3-6,11,14H2,1-2H3,(H,23,26)
InChIKeyQBJKAKQHCLUGJO-UHFFFAOYSA-N
XLogP3.71
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3-ethoxy-4-methoxyphenyl)methyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxy-4-methoxyphenyl)methyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide?
The IUPAC name of N-[(3-ethoxy-4-methoxyphenyl)methyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide (CID 22579481) is N-[(3-ethoxy-4-methoxyphenyl)methyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide.
What is the SMILES notation for N-[(3-ethoxy-4-methoxyphenyl)methyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide?
The canonical SMILES for N-[(3-ethoxy-4-methoxyphenyl)methyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide is CCOc1cc(CNC(=O)c2ccc3c(c2)nc2n3CCCC2)ccc1OC.
What is the InChIKey of N-[(3-ethoxy-4-methoxyphenyl)methyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide?
The InChIKey is QBJKAKQHCLUGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-3-28-20-12-15(7-10-19(20)27-2)14-23-22(26)16-8-9-18-17(13-16)24-21-6-4-5-11-25(18)21/h7-10,12-13H,3-6,11,14H2,1-2H3,(H,23,26).
What are the key properties of N-[(3-ethoxy-4-methoxyphenyl)methyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide?
N-[(3-ethoxy-4-methoxyphenyl)methyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxy-4-methoxyphenyl)methyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide is sourced from PubChem (CID 22579481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).