N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-2-(hydroxymethyl)-1H-benzimidazole-4-carboxamide

C23H26N4O4 — CID 142501320

IUPACN-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-2-(hydroxymethyl)-1H-benzimidazole-4-carboxamide
SMILESCC1(C)Cc2cc(NC(=O)c3cccc4[nH]c(CO)nc34)c(N3CCOCC3)cc2O1
InChIInChI=1S/C23H26N4O4/c1-23(2)12-14-10-17(18(11-19(14)31-23)27-6-8-30-9-7-27)25-22(29)15-4-3-5-16-21(15)26-20(13-28)24-16/h3-5,10-11,28H,6-9,12-13H2,1-2H3,(H,24,26)(H,25,29)
InChIKeyJBAQRBLZOBFAQE-UHFFFAOYSA-N
MW422.49 g/mol
LogP2.86
Rot. Bonds4

About N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-2-(hydroxymethyl)-1H-benzimidazole-4-carboxamide

N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-2-(hydroxymethyl)-1H-benzimidazole-4-carboxamide (PubChem CID 142501320) has the molecular formula C23H26N4O4 and a molecular weight of 422.49 g/mol. Its IUPAC name is N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-2-(hydroxymethyl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-2-(hydroxymethyl)-1H-benzimidazole-4-carboxamide
PubChem CID142501320
Molecular FormulaC23H26N4O4
Molecular Weight422.49 g/mol
Exact Mass422.20
IUPAC NameN-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-2-(hydroxymethyl)-1H-benzimidazole-4-carboxamide
SMILESCC1(C)Cc2cc(NC(=O)c3cccc4[nH]c(CO)nc34)c(N3CCOCC3)cc2O1
InChIInChI=1S/C23H26N4O4/c1-23(2)12-14-10-17(18(11-19(14)31-23)27-6-8-30-9-7-27)25-22(29)15-4-3-5-16-21(15)26-20(13-28)24-16/h3-5,10-11,28H,6-9,12-13H2,1-2H3,(H,24,26)(H,25,29)
InChIKeyJBAQRBLZOBFAQE-UHFFFAOYSA-N
XLogP2.86
TPSA99.71 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-2-(hydroxymethyl)-1H-benzimidazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-2-(hydroxymethyl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-2-(hydroxymethyl)-1H-benzimidazole-4-carboxamide (CID 142501320) is N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-2-(hydroxymethyl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-2-(hydroxymethyl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-2-(hydroxymethyl)-1H-benzimidazole-4-carboxamide is CC1(C)Cc2cc(NC(=O)c3cccc4[nH]c(CO)nc34)c(N3CCOCC3)cc2O1.
What is the InChIKey of N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-2-(hydroxymethyl)-1H-benzimidazole-4-carboxamide?
The InChIKey is JBAQRBLZOBFAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4/c1-23(2)12-14-10-17(18(11-19(14)31-23)27-6-8-30-9-7-27)25-22(29)15-4-3-5-16-21(15)26-20(13-28)24-16/h3-5,10-11,28H,6-9,12-13H2,1-2H3,(H,24,26)(H,25,29).
What are the key properties of N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-2-(hydroxymethyl)-1H-benzimidazole-4-carboxamide?
N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-2-(hydroxymethyl)-1H-benzimidazole-4-carboxamide has a molecular weight of 422.49 g/mol, XLogP of 2.86, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-2-(hydroxymethyl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 142501320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).