N-[4-(2-methoxyethoxy)cyclohexyl]-2-methyl-6-(1,3-thiazol-5-yl)-1H-benzimidazole-4-carboxamide

C21H26N4O3S — CID 155786320

IUPACN-[4-(2-methoxyethoxy)cyclohexyl]-2-methyl-6-(1,3-thiazol-5-yl)-1H-benzimidazole-4-carboxamide
SMILESCOCCOC1CCC(NC(=O)c2cc(-c3cncs3)cc3[nH]c(C)nc23)CC1
InChIInChI=1S/C21H26N4O3S/c1-13-23-18-10-14(19-11-22-12-29-19)9-17(20(18)24-13)21(26)25-15-3-5-16(6-4-15)28-8-7-27-2/h9-12,15-16H,3-8H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyVPOUATSYWFHKMT-UHFFFAOYSA-N
MW414.53 g/mol
LogP3.70
Rot. Bonds7

About N-[4-(2-methoxyethoxy)cyclohexyl]-2-methyl-6-(1,3-thiazol-5-yl)-1H-benzimidazole-4-carboxamide

N-[4-(2-methoxyethoxy)cyclohexyl]-2-methyl-6-(1,3-thiazol-5-yl)-1H-benzimidazole-4-carboxamide (PubChem CID 155786320) has the molecular formula C21H26N4O3S and a molecular weight of 414.53 g/mol. Its IUPAC name is N-[4-(2-methoxyethoxy)cyclohexyl]-2-methyl-6-(1,3-thiazol-5-yl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2-methoxyethoxy)cyclohexyl]-2-methyl-6-(1,3-thiazol-5-yl)-1H-benzimidazole-4-carboxamide
PubChem CID155786320
Molecular FormulaC21H26N4O3S
Molecular Weight414.53 g/mol
Exact Mass414.17
IUPAC NameN-[4-(2-methoxyethoxy)cyclohexyl]-2-methyl-6-(1,3-thiazol-5-yl)-1H-benzimidazole-4-carboxamide
SMILESCOCCOC1CCC(NC(=O)c2cc(-c3cncs3)cc3[nH]c(C)nc23)CC1
InChIInChI=1S/C21H26N4O3S/c1-13-23-18-10-14(19-11-22-12-29-19)9-17(20(18)24-13)21(26)25-15-3-5-16(6-4-15)28-8-7-27-2/h9-12,15-16H,3-8H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyVPOUATSYWFHKMT-UHFFFAOYSA-N
XLogP3.70
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[4-(2-methoxyethoxy)cyclohexyl]-2-methyl-6-(1,3-thiazol-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-[4-(2-methoxyethoxy)cyclohexyl]-2-methyl-6-(1,3-thiazol-5-yl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of N-[4-(2-methoxyethoxy)cyclohexyl]-2-methyl-6-(1,3-thiazol-5-yl)-1H-benzimidazole-4-carboxamide (CID 155786320) is N-[4-(2-methoxyethoxy)cyclohexyl]-2-methyl-6-(1,3-thiazol-5-yl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for N-[4-(2-methoxyethoxy)cyclohexyl]-2-methyl-6-(1,3-thiazol-5-yl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for N-[4-(2-methoxyethoxy)cyclohexyl]-2-methyl-6-(1,3-thiazol-5-yl)-1H-benzimidazole-4-carboxamide is COCCOC1CCC(NC(=O)c2cc(-c3cncs3)cc3[nH]c(C)nc23)CC1.
What is the InChIKey of N-[4-(2-methoxyethoxy)cyclohexyl]-2-methyl-6-(1,3-thiazol-5-yl)-1H-benzimidazole-4-carboxamide?
The InChIKey is VPOUATSYWFHKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3S/c1-13-23-18-10-14(19-11-22-12-29-19)9-17(20(18)24-13)21(26)25-15-3-5-16(6-4-15)28-8-7-27-2/h9-12,15-16H,3-8H2,1-2H3,(H,23,24)(H,25,26).
What are the key properties of N-[4-(2-methoxyethoxy)cyclohexyl]-2-methyl-6-(1,3-thiazol-5-yl)-1H-benzimidazole-4-carboxamide?
N-[4-(2-methoxyethoxy)cyclohexyl]-2-methyl-6-(1,3-thiazol-5-yl)-1H-benzimidazole-4-carboxamide has a molecular weight of 414.53 g/mol, XLogP of 3.70, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxyethoxy)cyclohexyl]-2-methyl-6-(1,3-thiazol-5-yl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 155786320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).