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

C30H37N3O7 — CID 5087884

IUPAC4,4,11,11-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
SMILESCC(C)Oc1ccccc1Cn1c(CNC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)nc2ccccc21
InChIInChI=1S/C30H37N3O7/c1-17(2)35-21-14-10-7-11-18(21)16-33-20-13-9-8-12-19(20)32-22(33)15-31-27(34)25-23-24(38-29(3,4)37-23)26-28(36-25)40-30(5,6)39-26/h7-14,17,23-26,28H,15-16H2,1-6H3,(H,31,34)
InChIKeyAFANDKZHMNAODP-UHFFFAOYSA-N
MW551.64 g/mol
LogP3.88
Rot. Bonds7

About 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

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 (PubChem CID 5087884) has the molecular formula C30H37N3O7 and a molecular weight of 551.64 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4,4,11,11-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
PubChem CID5087884
Molecular FormulaC30H37N3O7
Molecular Weight551.64 g/mol
Exact Mass551.26
IUPAC Name4,4,11,11-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
SMILESCC(C)Oc1ccccc1Cn1c(CNC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)nc2ccccc21
InChIInChI=1S/C30H37N3O7/c1-17(2)35-21-14-10-7-11-18(21)16-33-20-13-9-8-12-19(20)32-22(33)15-31-27(34)25-23-24(38-29(3,4)37-23)26-28(36-25)40-30(5,6)39-26/h7-14,17,23-26,28H,15-16H2,1-6H3,(H,31,34)
InChIKeyAFANDKZHMNAODP-UHFFFAOYSA-N
XLogP3.88
TPSA102.30 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500551.64
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

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
(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
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
N-[2-(2-methoxyphenyl)ethyl]-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide
CID 22696395
(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-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide
CID 16968443
N-[[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]propanamide
CID 17006062
N-[[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]-2,2-dimethylpropanamide
CID 16969493
(1R,2R,6R,8R,9R)-4,4,11,11-tetramethyl-N-[2-(2-methylpropoxy)phenyl]-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide
CID 100885978
N-[5-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]pentyl]-2-methylpropanamide
CID 16988661

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)Oc1ccccc1Cn1c(CNC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)nc2ccccc21.
What is the InChIKey of 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?
The InChIKey is AFANDKZHMNAODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N3O7/c1-17(2)35-21-14-10-7-11-18(21)16-33-20-13-9-8-12-19(20)32-22(33)15-31-27(34)25-23-24(38-29(3,4)37-23)26-28(36-25)40-30(5,6)39-26/h7-14,17,23-26,28H,15-16H2,1-6H3,(H,31,34).
What are the key properties of 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?
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 has a molecular weight of 551.64 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 5087884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).