methyl 5-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-6-carboxylate

C13H14N2O2 — CID 25157665

IUPACmethyl 5-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-6-carboxylate
SMILESCOC(=O)c1ccc2c(nc3n2CCC3)c1C
InChIInChI=1S/C13H14N2O2/c1-8-9(13(16)17-2)5-6-10-12(8)14-11-4-3-7-15(10)11/h5-6H,3-4,7H2,1-2H3
InChIKeySTBNYIKEHYGOAH-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.08
Rot. Bonds1

About methyl 5-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-6-carboxylate

methyl 5-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-6-carboxylate (PubChem CID 25157665) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is methyl 5-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-6-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-6-carboxylate
PubChem CID25157665
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Namemethyl 5-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-6-carboxylate
SMILESCOC(=O)c1ccc2c(nc3n2CCC3)c1C
InChIInChI=1S/C13H14N2O2/c1-8-9(13(16)17-2)5-6-10-12(8)14-11-4-3-7-15(10)11/h5-6H,3-4,7H2,1-2H3
InChIKeySTBNYIKEHYGOAH-UHFFFAOYSA-N
XLogP2.08
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Brd4770
CID 72193870
1-Isopropyl-1H-benzoimidazole-5-carboxylic acid
CID 4712703
2-Methyl-1-phenyl-1H-benzimidazole-5-carboxylic acid
CID 619926
Methyl 1-phenyl-1H-benzo[d]imidazole-5-carboxylate
CID 5328469
2-(9-Ethyl-6-methylcarbazol-3-yl)-1-(2-methoxyethyl)-4-methylbenzimidazole-5-carboxylic acid
CID 90202558
Ethyl 1-ethyl-2-methyl-1H-benzimidazole-5-carboxylate
CID 690728
1-Methyl-1H-benzimidazole-5-carboxylic acid
CID 4913063
Methyl 4-(benzimidazol-1-yl)benzoate
CID 5328451
Ethyl 1-ethyl-2-pyridin-2-ylbenzimidazole-5-carboxylate
CID 4782702
3-Methyl-2-(trifluoromethyl)benzimidazole-5-carboxylic acid
CID 60144427
[2-(Diethylamino)-2-oxoethyl] 3-methyl-2-(trifluoromethyl)benzimidazole-5-carboxylate
CID 60144430
1-Cyclohexyl-2-methyl-1H-benzoimidazole-5-carboxylic acid
CID 744874

Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-6-carboxylate?
The IUPAC name of methyl 5-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-6-carboxylate (CID 25157665) is methyl 5-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-6-carboxylate.
What is the SMILES notation for methyl 5-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-6-carboxylate?
The canonical SMILES for methyl 5-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-6-carboxylate is COC(=O)c1ccc2c(nc3n2CCC3)c1C.
What is the InChIKey of methyl 5-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-6-carboxylate?
The InChIKey is STBNYIKEHYGOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-8-9(13(16)17-2)5-6-10-12(8)14-11-4-3-7-15(10)11/h5-6H,3-4,7H2,1-2H3.
What are the key properties of methyl 5-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-6-carboxylate?
methyl 5-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-6-carboxylate has a molecular weight of 230.27 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-6-carboxylate is sourced from PubChem (CID 25157665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).