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

C22H24N4O3 — CID 137367224

IUPACN-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-1H-benzimidazole-4-carboxamide
SMILESCC1(C)Cc2cc(NC(=O)c3cccc4[nH]cnc34)c(N3CCOCC3)cc2O1
InChIInChI=1S/C22H24N4O3/c1-22(2)12-14-10-17(18(11-19(14)29-22)26-6-8-28-9-7-26)25-21(27)15-4-3-5-16-20(15)24-13-23-16/h3-5,10-11,13H,6-9,12H2,1-2H3,(H,23,24)(H,25,27)
InChIKeyKCIGDPDPQVGCPN-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.37
Rot. Bonds3

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

N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-1H-benzimidazole-4-carboxamide (PubChem CID 137367224) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-1H-benzimidazole-4-carboxamide
PubChem CID137367224
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-1H-benzimidazole-4-carboxamide
SMILESCC1(C)Cc2cc(NC(=O)c3cccc4[nH]cnc34)c(N3CCOCC3)cc2O1
InChIInChI=1S/C22H24N4O3/c1-22(2)12-14-10-17(18(11-19(14)29-22)26-6-8-28-9-7-26)25-21(27)15-4-3-5-16-20(15)24-13-23-16/h3-5,10-11,13H,6-9,12H2,1-2H3,(H,23,24)(H,25,27)
InChIKeyKCIGDPDPQVGCPN-UHFFFAOYSA-N
XLogP3.37
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-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)-1H-benzimidazole-4-carboxamide?
The IUPAC name of N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-1H-benzimidazole-4-carboxamide (CID 137367224) is N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-1H-benzimidazole-4-carboxamide is CC1(C)Cc2cc(NC(=O)c3cccc4[nH]cnc34)c(N3CCOCC3)cc2O1.
What is the InChIKey of N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-1H-benzimidazole-4-carboxamide?
The InChIKey is KCIGDPDPQVGCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-22(2)12-14-10-17(18(11-19(14)29-22)26-6-8-28-9-7-26)25-21(27)15-4-3-5-16-20(15)24-13-23-16/h3-5,10-11,13H,6-9,12H2,1-2H3,(H,23,24)(H,25,27).
What are the key properties of N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-1H-benzimidazole-4-carboxamide?
N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-1H-benzimidazole-4-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 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)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 137367224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).