4,4,11,11-tetramethyl-N-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide

C25H35N3O6 — CID 5087680

IUPAC4,4,11,11-tetramethyl-N-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide
SMILESCC(C)CCn1c(CNC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)nc2ccccc21
InChIInChI=1S/C25H35N3O6/c1-14(2)11-12-28-16-10-8-7-9-15(16)27-17(28)13-26-22(29)20-18-19(32-24(3,4)31-18)21-23(30-20)34-25(5,6)33-21/h7-10,14,18-21,23H,11-13H2,1-6H3,(H,26,29)
InChIKeyILYJYSBHVSRYQM-UHFFFAOYSA-N
MW473.57 g/mol
LogP3.10
Rot. Bonds6

About 4,4,11,11-tetramethyl-N-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide

4,4,11,11-tetramethyl-N-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide (PubChem CID 5087680) has the molecular formula C25H35N3O6 and a molecular weight of 473.57 g/mol. Its IUPAC name is 4,4,11,11-tetramethyl-N-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide.

Molecular Properties

Compound Name4,4,11,11-tetramethyl-N-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide
PubChem CID5087680
Molecular FormulaC25H35N3O6
Molecular Weight473.57 g/mol
Exact Mass473.25
IUPAC Name4,4,11,11-tetramethyl-N-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide
SMILESCC(C)CCn1c(CNC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)nc2ccccc21
InChIInChI=1S/C25H35N3O6/c1-14(2)11-12-28-16-10-8-7-9-15(16)27-17(28)13-26-22(29)20-18-19(32-24(3,4)31-18)21-23(30-20)34-25(5,6)33-21/h7-10,14,18-21,23H,11-13H2,1-6H3,(H,26,29)
InChIKeyILYJYSBHVSRYQM-UHFFFAOYSA-N
XLogP3.10
TPSA93.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.57
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4,4,11,11-tetramethyl-N-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

(1S,2R,6R,8S,9R)-4,4,11,11-tetramethyl-N-[(1-propylbenzimidazol-2-yl)methyl]-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide
CID 18804216
N-[(1-butylbenzimidazol-2-yl)methyl]-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide
CID 5087679
(1S,2R,6R,8S,9R)-4,4,11,11-tetramethyl-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide
CID 18804215
4,4,11,11-tetramethyl-N-[[1-[(2-propan-2-yloxyphenyl)methyl]benzimidazol-2-yl]methyl]-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide
CID 5087884
N-(1H-benzimidazol-2-ylmethyl)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide
CID 3281352
(1S,2R,6S,8S,9R)-N-benzyl-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide
CID 124766563
N-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]furan-2-carboxamide
CID 16619678
N-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]pyridine-2-carboxamide
CID 16966506
N-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-phenylpropanamide
CID 16970595
(Z)-N-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-phenylprop-2-enamide
CID 16970757
4,4,11,11-tetramethyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide
CID 3839876
N-[5-[1-(3-methylbutyl)benzimidazol-2-yl]pentyl]cyclohexanecarboxamide
CID 16988953

Frequently Asked Questions

What is the IUPAC name of 4,4,11,11-tetramethyl-N-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide?
The IUPAC name of 4,4,11,11-tetramethyl-N-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide (CID 5087680) is 4,4,11,11-tetramethyl-N-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide.
What is the SMILES notation for 4,4,11,11-tetramethyl-N-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide?
The canonical SMILES for 4,4,11,11-tetramethyl-N-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide is CC(C)CCn1c(CNC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)nc2ccccc21.
What is the InChIKey of 4,4,11,11-tetramethyl-N-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide?
The InChIKey is ILYJYSBHVSRYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O6/c1-14(2)11-12-28-16-10-8-7-9-15(16)27-17(28)13-26-22(29)20-18-19(32-24(3,4)31-18)21-23(30-20)34-25(5,6)33-21/h7-10,14,18-21,23H,11-13H2,1-6H3,(H,26,29).
What are the key properties of 4,4,11,11-tetramethyl-N-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide?
4,4,11,11-tetramethyl-N-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide has a molecular weight of 473.57 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,11,11-tetramethyl-N-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide is sourced from PubChem (CID 5087680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).