methyl 5,6-di(propan-2-yl)benzimidazole-1-carboxylate

C15H20N2O2 — CID 170698928

IUPACmethyl 5,6-di(propan-2-yl)benzimidazole-1-carboxylate
SMILESCOC(=O)n1cnc2cc(C(C)C)c(C(C)C)cc21
InChIInChI=1S/C15H20N2O2/c1-9(2)11-6-13-14(7-12(11)10(3)4)17(8-16-13)15(18)19-5/h6-10H,1-5H3
InChIKeyNCGAIFRLJCEXEG-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.90
Rot. Bonds2

About methyl 5,6-di(propan-2-yl)benzimidazole-1-carboxylate

methyl 5,6-di(propan-2-yl)benzimidazole-1-carboxylate (PubChem CID 170698928) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is methyl 5,6-di(propan-2-yl)benzimidazole-1-carboxylate.

Molecular Properties

Compound Namemethyl 5,6-di(propan-2-yl)benzimidazole-1-carboxylate
PubChem CID170698928
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Namemethyl 5,6-di(propan-2-yl)benzimidazole-1-carboxylate
SMILESCOC(=O)n1cnc2cc(C(C)C)c(C(C)C)cc21
InChIInChI=1S/C15H20N2O2/c1-9(2)11-6-13-14(7-12(11)10(3)4)17(8-16-13)15(18)19-5/h6-10H,1-5H3
InChIKeyNCGAIFRLJCEXEG-UHFFFAOYSA-N
XLogP3.90
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5,6-bis(4-nitrophenyl)benzimidazole-1-carboxylate
CID 170699025
methyl 5,6-bis(3-butylphenyl)benzimidazole-1-carboxylate
CID 170698946
methyl 2-propan-2-ylimidazole-1-carboxylate
CID 59953857
1-methyl-6-propan-2-ylbenzimidazol-5-ol
CID 163425924
1-(5,6-dimethylbenzimidazol-1-yl)-3-methylbutan-1-one
CID 4635768
methyl 3-acetylbenzimidazole-5-carboxylate
CID 12795316
tert-butyl 6-methylbenzimidazole-1-carboxylate
CID 59283343
N,6-dimethylbenzimidazole-1-carboxamide
CID 141344220
5-amino-1-methoxycarbonylimidazole-4-carboxylic acid
CID 70335918
[methoxy(methyl)carbamoyl] benzimidazole-1-carboxylate
CID 154321828
methyl 3-(benzimidazol-1-yl)butanoate
CID 43536389
methyl 1,6-dimethylbenzimidazole-5-carboxylate
CID 121006340

Frequently Asked Questions

What is the IUPAC name of methyl 5,6-di(propan-2-yl)benzimidazole-1-carboxylate?
The IUPAC name of methyl 5,6-di(propan-2-yl)benzimidazole-1-carboxylate (CID 170698928) is methyl 5,6-di(propan-2-yl)benzimidazole-1-carboxylate.
What is the SMILES notation for methyl 5,6-di(propan-2-yl)benzimidazole-1-carboxylate?
The canonical SMILES for methyl 5,6-di(propan-2-yl)benzimidazole-1-carboxylate is COC(=O)n1cnc2cc(C(C)C)c(C(C)C)cc21.
What is the InChIKey of methyl 5,6-di(propan-2-yl)benzimidazole-1-carboxylate?
The InChIKey is NCGAIFRLJCEXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-9(2)11-6-13-14(7-12(11)10(3)4)17(8-16-13)15(18)19-5/h6-10H,1-5H3.
What are the key properties of methyl 5,6-di(propan-2-yl)benzimidazole-1-carboxylate?
methyl 5,6-di(propan-2-yl)benzimidazole-1-carboxylate has a molecular weight of 260.34 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5,6-di(propan-2-yl)benzimidazole-1-carboxylate is sourced from PubChem (CID 170698928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).