methyl 2-amino-3-cyclobutylbenzimidazole-4-carboxylate

C13H15N3O2 — CID 118938343

IUPACmethyl 2-amino-3-cyclobutylbenzimidazole-4-carboxylate
SMILESCOC(=O)c1cccc2nc(N)n(C3CCC3)c12
InChIInChI=1S/C13H15N3O2/c1-18-12(17)9-6-3-7-10-11(9)16(13(14)15-10)8-4-2-5-8/h3,6-8H,2,4-5H2,1H3,(H2,14,15)
InChIKeyZTBLMKUKPARGJJ-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.13
Rot. Bonds2

About methyl 2-amino-3-cyclobutylbenzimidazole-4-carboxylate

methyl 2-amino-3-cyclobutylbenzimidazole-4-carboxylate (PubChem CID 118938343) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is methyl 2-amino-3-cyclobutylbenzimidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-3-cyclobutylbenzimidazole-4-carboxylate
PubChem CID118938343
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Namemethyl 2-amino-3-cyclobutylbenzimidazole-4-carboxylate
SMILESCOC(=O)c1cccc2nc(N)n(C3CCC3)c12
InChIInChI=1S/C13H15N3O2/c1-18-12(17)9-6-3-7-10-11(9)16(13(14)15-10)8-4-2-5-8/h3,6-8H,2,4-5H2,1H3,(H2,14,15)
InChIKeyZTBLMKUKPARGJJ-UHFFFAOYSA-N
XLogP2.13
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-amino-3-(cyclobutadienyl)benzimidazole-4-carboxylate
CID 118938344
1-cyclobutyl-7-fluorobenzimidazol-2-amine
CID 84778426
7-chloro-1-cyclopentylbenzimidazol-2-amine
CID 43661582
methyl 3-cyclopropyl-2-(5-fluoro-3-pyridinyl)benzimidazole-4-carboxylate
CID 121458681
3-cyclobutyl-2-propylbenzimidazole-4-carboxylic acid
CID 112577260
7-chloro-1-[(4S)-1-methylazepan-4-yl]benzimidazol-2-amine
CID 156742611
2-(2-amino-3-cyclobutyl-4-fluorobenzimidazol-5-yl)-N,N-dimethylacetamide
CID 142339981
7-methyl-1-(oxan-4-yl)benzimidazol-2-amine
CID 113333969
methyl 2-amino-3-[(2,6-dimethylpiperidin-1-yl)amino]benzoate
CID 83022552
methyl 3-amino-2-[(2,6-dimethylpiperidin-1-yl)amino]benzoate
CID 115935474
3-cyclohexyl-2-propylbenzimidazole-4-carboxylic acid
CID 115932845
methyl 1-cyclobutyl-2-oxopyridine-3-carboxylate
CID 139390457

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-cyclobutylbenzimidazole-4-carboxylate?
The IUPAC name of methyl 2-amino-3-cyclobutylbenzimidazole-4-carboxylate (CID 118938343) is methyl 2-amino-3-cyclobutylbenzimidazole-4-carboxylate.
What is the SMILES notation for methyl 2-amino-3-cyclobutylbenzimidazole-4-carboxylate?
The canonical SMILES for methyl 2-amino-3-cyclobutylbenzimidazole-4-carboxylate is COC(=O)c1cccc2nc(N)n(C3CCC3)c12.
What is the InChIKey of methyl 2-amino-3-cyclobutylbenzimidazole-4-carboxylate?
The InChIKey is ZTBLMKUKPARGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-18-12(17)9-6-3-7-10-11(9)16(13(14)15-10)8-4-2-5-8/h3,6-8H,2,4-5H2,1H3,(H2,14,15).
What are the key properties of methyl 2-amino-3-cyclobutylbenzimidazole-4-carboxylate?
methyl 2-amino-3-cyclobutylbenzimidazole-4-carboxylate has a molecular weight of 245.28 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-cyclobutylbenzimidazole-4-carboxylate is sourced from PubChem (CID 118938343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).