N-(2-tert-butyl-1-methylbenzimidazol-5-yl)-4-methylmorpholine-2-carboxamide

C18H26N4O2 — CID 84591777

IUPACN-(2-tert-butyl-1-methylbenzimidazol-5-yl)-4-methylmorpholine-2-carboxamide
SMILESCN1CCOC(C(=O)Nc2ccc3c(c2)nc(C(C)(C)C)n3C)C1
InChIInChI=1S/C18H26N4O2/c1-18(2,3)17-20-13-10-12(6-7-14(13)22(17)5)19-16(23)15-11-21(4)8-9-24-15/h6-7,10,15H,8-9,11H2,1-5H3,(H,19,23)
InChIKeyRKNXJOKSQAMWTQ-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.14
Rot. Bonds2

About N-(2-tert-butyl-1-methylbenzimidazol-5-yl)-4-methylmorpholine-2-carboxamide

N-(2-tert-butyl-1-methylbenzimidazol-5-yl)-4-methylmorpholine-2-carboxamide (PubChem CID 84591777) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-(2-tert-butyl-1-methylbenzimidazol-5-yl)-4-methylmorpholine-2-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butyl-1-methylbenzimidazol-5-yl)-4-methylmorpholine-2-carboxamide
PubChem CID84591777
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC NameN-(2-tert-butyl-1-methylbenzimidazol-5-yl)-4-methylmorpholine-2-carboxamide
SMILESCN1CCOC(C(=O)Nc2ccc3c(c2)nc(C(C)(C)C)n3C)C1
InChIInChI=1S/C18H26N4O2/c1-18(2,3)17-20-13-10-12(6-7-14(13)22(17)5)19-16(23)15-11-21(4)8-9-24-15/h6-7,10,15H,8-9,11H2,1-5H3,(H,19,23)
InChIKeyRKNXJOKSQAMWTQ-UHFFFAOYSA-N
XLogP2.14
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-tert-butyl-1-methylbenzimidazol-5-yl)-4-methylmorpholine-2-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-tert-butyl-1-methylbenzimidazol-5-yl)-4-methylmorpholine-2-carboxamide?
The IUPAC name of N-(2-tert-butyl-1-methylbenzimidazol-5-yl)-4-methylmorpholine-2-carboxamide (CID 84591777) is N-(2-tert-butyl-1-methylbenzimidazol-5-yl)-4-methylmorpholine-2-carboxamide.
What is the SMILES notation for N-(2-tert-butyl-1-methylbenzimidazol-5-yl)-4-methylmorpholine-2-carboxamide?
The canonical SMILES for N-(2-tert-butyl-1-methylbenzimidazol-5-yl)-4-methylmorpholine-2-carboxamide is CN1CCOC(C(=O)Nc2ccc3c(c2)nc(C(C)(C)C)n3C)C1.
What is the InChIKey of N-(2-tert-butyl-1-methylbenzimidazol-5-yl)-4-methylmorpholine-2-carboxamide?
The InChIKey is RKNXJOKSQAMWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-18(2,3)17-20-13-10-12(6-7-14(13)22(17)5)19-16(23)15-11-21(4)8-9-24-15/h6-7,10,15H,8-9,11H2,1-5H3,(H,19,23).
What are the key properties of N-(2-tert-butyl-1-methylbenzimidazol-5-yl)-4-methylmorpholine-2-carboxamide?
N-(2-tert-butyl-1-methylbenzimidazol-5-yl)-4-methylmorpholine-2-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-1-methylbenzimidazol-5-yl)-4-methylmorpholine-2-carboxamide is sourced from PubChem (CID 84591777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).