methyl 2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzimidazole-2-carboxylate

C23H26N2O2 — CID 67781748

IUPACmethyl 2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzimidazole-2-carboxylate
SMILESCOC(=O)C1(c2ccc3c(c2)C(C)(C)CCC3(C)C)N=c2ccccc2=N1
InChIInChI=1S/C23H26N2O2/c1-21(2)12-13-22(3,4)17-14-15(10-11-16(17)21)23(20(26)27-5)24-18-8-6-7-9-19(18)25-23/h6-11,14H,12-13H2,1-5H3
InChIKeyRBTRNPRCGQJKET-UHFFFAOYSA-N
MW362.47 g/mol
LogP3.31
Rot. Bonds2

About methyl 2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzimidazole-2-carboxylate

methyl 2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzimidazole-2-carboxylate (PubChem CID 67781748) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is methyl 2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzimidazole-2-carboxylate.

Molecular Properties

Compound Namemethyl 2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzimidazole-2-carboxylate
PubChem CID67781748
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Namemethyl 2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzimidazole-2-carboxylate
SMILESCOC(=O)C1(c2ccc3c(c2)C(C)(C)CCC3(C)C)N=c2ccccc2=N1
InChIInChI=1S/C23H26N2O2/c1-21(2)12-13-22(3,4)17-14-15(10-11-16(17)21)23(20(26)27-5)24-18-8-6-7-9-19(18)25-23/h6-11,14H,12-13H2,1-5H3
InChIKeyRBTRNPRCGQJKET-UHFFFAOYSA-N
XLogP3.31
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(2,6-difluorophenyl)benzimidazole-2-carboxylate
CID 22482462
methyl 6-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]naphthalene-2-carboxylate
CID 10669381
methyl 4-[2-oxo-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)acetyl]benzoate
CID 14726493
methyl 3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-2-enoate
CID 123594241
2-[1-hydroxy-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-2-ynyl]benzoic acid
CID 67660330
ethyl (2R)-2-methyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropane-1-carboxylate
CID 154935044
methyl 2-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyrimidine-5-carboxylate;methyl 2-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]pyrimidine-5-carboxylate
CID 162247596
(E)-N-ethyl-3-[2-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]phenyl]prop-2-enamide
CID 21185950
N-ethyl-3-[2-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]phenyl]prop-2-enamide
CID 70183549
benzene;1,1,4,4-tetramethyl-2,3-dihydronaphthalene
CID 173031980
methyl 4-[1-methyl-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyrrol-2-yl]benzoate
CID 14726514
methyl 2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoate
CID 21185946

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzimidazole-2-carboxylate?
The IUPAC name of methyl 2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzimidazole-2-carboxylate (CID 67781748) is methyl 2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzimidazole-2-carboxylate.
What is the SMILES notation for methyl 2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzimidazole-2-carboxylate?
The canonical SMILES for methyl 2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzimidazole-2-carboxylate is COC(=O)C1(c2ccc3c(c2)C(C)(C)CCC3(C)C)N=c2ccccc2=N1.
What is the InChIKey of methyl 2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzimidazole-2-carboxylate?
The InChIKey is RBTRNPRCGQJKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-21(2)12-13-22(3,4)17-14-15(10-11-16(17)21)23(20(26)27-5)24-18-8-6-7-9-19(18)25-23/h6-11,14H,12-13H2,1-5H3.
What are the key properties of methyl 2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzimidazole-2-carboxylate?
methyl 2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzimidazole-2-carboxylate has a molecular weight of 362.47 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzimidazole-2-carboxylate is sourced from PubChem (CID 67781748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).