N,N,2-trimethyl-8-phenyl-3,6,7,8-tetrahydropyrano[2,3-e]benzimidazole-5-carboxamide

C20H21N3O2 — CID 69135096

IUPACN,N,2-trimethyl-8-phenyl-3,6,7,8-tetrahydropyrano[2,3-e]benzimidazole-5-carboxamide
SMILESCc1nc2c3c(c(C(=O)N(C)C)cc2[nH]1)CCC(c1ccccc1)O3
InChIInChI=1S/C20H21N3O2/c1-12-21-16-11-15(20(24)23(2)3)14-9-10-17(13-7-5-4-6-8-13)25-19(14)18(16)22-12/h4-8,11,17H,9-10H2,1-3H3,(H,21,22)
InChIKeySXBZXIJSXLIGIA-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.64
Rot. Bonds2

About N,N,2-trimethyl-8-phenyl-3,6,7,8-tetrahydropyrano[2,3-e]benzimidazole-5-carboxamide

N,N,2-trimethyl-8-phenyl-3,6,7,8-tetrahydropyrano[2,3-e]benzimidazole-5-carboxamide (PubChem CID 69135096) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N,N,2-trimethyl-8-phenyl-3,6,7,8-tetrahydropyrano[2,3-e]benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN,N,2-trimethyl-8-phenyl-3,6,7,8-tetrahydropyrano[2,3-e]benzimidazole-5-carboxamide
PubChem CID69135096
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN,N,2-trimethyl-8-phenyl-3,6,7,8-tetrahydropyrano[2,3-e]benzimidazole-5-carboxamide
SMILESCc1nc2c3c(c(C(=O)N(C)C)cc2[nH]1)CCC(c1ccccc1)O3
InChIInChI=1S/C20H21N3O2/c1-12-21-16-11-15(20(24)23(2)3)14-9-10-17(13-7-5-4-6-8-13)25-19(14)18(16)22-12/h4-8,11,17H,9-10H2,1-3H3,(H,21,22)
InChIKeySXBZXIJSXLIGIA-UHFFFAOYSA-N
XLogP3.64
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-8-phenyl-3,6,7,8-tetrahydropyrano[2,3-e]benzimidazole-5-carboxamide?
The IUPAC name of N,N,2-trimethyl-8-phenyl-3,6,7,8-tetrahydropyrano[2,3-e]benzimidazole-5-carboxamide (CID 69135096) is N,N,2-trimethyl-8-phenyl-3,6,7,8-tetrahydropyrano[2,3-e]benzimidazole-5-carboxamide.
What is the SMILES notation for N,N,2-trimethyl-8-phenyl-3,6,7,8-tetrahydropyrano[2,3-e]benzimidazole-5-carboxamide?
The canonical SMILES for N,N,2-trimethyl-8-phenyl-3,6,7,8-tetrahydropyrano[2,3-e]benzimidazole-5-carboxamide is Cc1nc2c3c(c(C(=O)N(C)C)cc2[nH]1)CCC(c1ccccc1)O3.
What is the InChIKey of N,N,2-trimethyl-8-phenyl-3,6,7,8-tetrahydropyrano[2,3-e]benzimidazole-5-carboxamide?
The InChIKey is SXBZXIJSXLIGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-12-21-16-11-15(20(24)23(2)3)14-9-10-17(13-7-5-4-6-8-13)25-19(14)18(16)22-12/h4-8,11,17H,9-10H2,1-3H3,(H,21,22).
What are the key properties of N,N,2-trimethyl-8-phenyl-3,6,7,8-tetrahydropyrano[2,3-e]benzimidazole-5-carboxamide?
N,N,2-trimethyl-8-phenyl-3,6,7,8-tetrahydropyrano[2,3-e]benzimidazole-5-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-8-phenyl-3,6,7,8-tetrahydropyrano[2,3-e]benzimidazole-5-carboxamide is sourced from PubChem (CID 69135096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).