2-methylbutan-2-yl 2-methylbenzimidazole-1-carboxylate

C14H18N2O2 — CID 67187186

IUPAC2-methylbutan-2-yl 2-methylbenzimidazole-1-carboxylate
SMILESCCC(C)(C)OC(=O)n1c(C)nc2ccccc21
InChIInChI=1S/C14H18N2O2/c1-5-14(3,4)18-13(17)16-10(2)15-11-8-6-7-9-12(11)16/h6-9H,5H2,1-4H3
InChIKeyNAVKRLFJNXPSFN-UHFFFAOYSA-N
MW246.31 g/mol
LogP3.52
Rot. Bonds2

About 2-methylbutan-2-yl 2-methylbenzimidazole-1-carboxylate

2-methylbutan-2-yl 2-methylbenzimidazole-1-carboxylate (PubChem CID 67187186) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-methylbutan-2-yl 2-methylbenzimidazole-1-carboxylate.

Molecular Properties

Compound Name2-methylbutan-2-yl 2-methylbenzimidazole-1-carboxylate
PubChem CID67187186
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-methylbutan-2-yl 2-methylbenzimidazole-1-carboxylate
SMILESCCC(C)(C)OC(=O)n1c(C)nc2ccccc21
InChIInChI=1S/C14H18N2O2/c1-5-14(3,4)18-13(17)16-10(2)15-11-8-6-7-9-12(11)16/h6-9H,5H2,1-4H3
InChIKeyNAVKRLFJNXPSFN-UHFFFAOYSA-N
XLogP3.52
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-(methylaminomethyl)benzimidazole-1-carboxylate
CID 22181895
(4-methoxyphenyl)methyl 2-methylbenzimidazole-1-carboxylate
CID 67949207
tert-butyl 2,6-dimethylbenzimidazole-1-carboxylate
CID 143547748
tert-butyl 2-(2-methoxy-2-oxoethyl)benzimidazole-1-carboxylate
CID 129052197
2-(4-aminophenoxy)-1-(2-methylbenzimidazol-1-yl)ethanone
CID 84750974
tert-butyl 2-[[(2-methylpropan-2-yl)oxycarbonyl-[[1-[(2-methylpropan-2-yl)oxycarbonyl]benzimidazol-2-yl]methyl]amino]methyl]benzimidazole-1-carboxylate
CID 54543014
(2-chlorophenyl)-(2-methylbenzimidazol-1-yl)methanone
CID 791264
tert-butyl 7-(hydroxymethyl)-2-methylbenzimidazole-1-carboxylate
CID 126676203
tert-butyl 2-[3-[(3-ethoxy-3-oxopropyl)amino]-3-oxopropyl]benzimidazole-1-carboxylate
CID 70820607
tert-butyl 2-amino-3-(2-methylbenzimidazol-1-yl)propanoate
CID 121493872
(2-bromophenyl)-(2-methylbenzimidazol-1-yl)methanone
CID 791448
ethyl 2-(methoxycarbonylamino)benzimidazole-1-carboxylate
CID 640772

Frequently Asked Questions

What is the IUPAC name of 2-methylbutan-2-yl 2-methylbenzimidazole-1-carboxylate?
The IUPAC name of 2-methylbutan-2-yl 2-methylbenzimidazole-1-carboxylate (CID 67187186) is 2-methylbutan-2-yl 2-methylbenzimidazole-1-carboxylate.
What is the SMILES notation for 2-methylbutan-2-yl 2-methylbenzimidazole-1-carboxylate?
The canonical SMILES for 2-methylbutan-2-yl 2-methylbenzimidazole-1-carboxylate is CCC(C)(C)OC(=O)n1c(C)nc2ccccc21.
What is the InChIKey of 2-methylbutan-2-yl 2-methylbenzimidazole-1-carboxylate?
The InChIKey is NAVKRLFJNXPSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-5-14(3,4)18-13(17)16-10(2)15-11-8-6-7-9-12(11)16/h6-9H,5H2,1-4H3.
What are the key properties of 2-methylbutan-2-yl 2-methylbenzimidazole-1-carboxylate?
2-methylbutan-2-yl 2-methylbenzimidazole-1-carboxylate has a molecular weight of 246.31 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutan-2-yl 2-methylbenzimidazole-1-carboxylate is sourced from PubChem (CID 67187186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).