2-cyclopropyl-N,N,3-trimethyl-8-phenyl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide

C23H25N3O2 — CID 69135071

IUPAC2-cyclopropyl-N,N,3-trimethyl-8-phenyl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide
SMILESCN(C)C(=O)c1cc2c(nc(C3CC3)n2C)c2c1CCC(c1ccccc1)O2
InChIInChI=1S/C23H25N3O2/c1-25(2)23(27)17-13-18-20(24-22(26(18)3)15-9-10-15)21-16(17)11-12-19(28-21)14-7-5-4-6-8-14/h4-8,13,15,19H,9-12H2,1-3H3
InChIKeyUHCJJMVPALIANZ-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.22
Rot. Bonds3

About 2-cyclopropyl-N,N,3-trimethyl-8-phenyl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide

2-cyclopropyl-N,N,3-trimethyl-8-phenyl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide (PubChem CID 69135071) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 2-cyclopropyl-N,N,3-trimethyl-8-phenyl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N,N,3-trimethyl-8-phenyl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide
PubChem CID69135071
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name2-cyclopropyl-N,N,3-trimethyl-8-phenyl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide
SMILESCN(C)C(=O)c1cc2c(nc(C3CC3)n2C)c2c1CCC(c1ccccc1)O2
InChIInChI=1S/C23H25N3O2/c1-25(2)23(27)17-13-18-20(24-22(26(18)3)15-9-10-15)21-16(17)11-12-19(28-21)14-7-5-4-6-8-14/h4-8,13,15,19H,9-12H2,1-3H3
InChIKeyUHCJJMVPALIANZ-UHFFFAOYSA-N
XLogP4.22
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N,N,3-trimethyl-8-phenyl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide?
The IUPAC name of 2-cyclopropyl-N,N,3-trimethyl-8-phenyl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide (CID 69135071) is 2-cyclopropyl-N,N,3-trimethyl-8-phenyl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N,N,3-trimethyl-8-phenyl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide?
The canonical SMILES for 2-cyclopropyl-N,N,3-trimethyl-8-phenyl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide is CN(C)C(=O)c1cc2c(nc(C3CC3)n2C)c2c1CCC(c1ccccc1)O2.
What is the InChIKey of 2-cyclopropyl-N,N,3-trimethyl-8-phenyl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide?
The InChIKey is UHCJJMVPALIANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-25(2)23(27)17-13-18-20(24-22(26(18)3)15-9-10-15)21-16(17)11-12-19(28-21)14-7-5-4-6-8-14/h4-8,13,15,19H,9-12H2,1-3H3.
What are the key properties of 2-cyclopropyl-N,N,3-trimethyl-8-phenyl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide?
2-cyclopropyl-N,N,3-trimethyl-8-phenyl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N,N,3-trimethyl-8-phenyl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide is sourced from PubChem (CID 69135071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).