ethyl N-(6-methoxy-1H-benzimidazol-2-yl)carbamate

C11H13N3O3 — CID 51056302

IUPACethyl N-(6-methoxy-1H-benzimidazol-2-yl)carbamate
SMILESCCOC(=O)Nc1nc2ccc(OC)cc2[nH]1
InChIInChI=1S/C11H13N3O3/c1-3-17-11(15)14-10-12-8-5-4-7(16-2)6-9(8)13-10/h4-6H,3H2,1-2H3,(H2,12,13,14,15)
InChIKeyRBDQJYMDVBHECK-UHFFFAOYSA-N
MW235.24 g/mol
LogP2.14
Rot. Bonds3

About ethyl N-(6-methoxy-1H-benzimidazol-2-yl)carbamate

ethyl N-(6-methoxy-1H-benzimidazol-2-yl)carbamate (PubChem CID 51056302) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is ethyl N-(6-methoxy-1H-benzimidazol-2-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(6-methoxy-1H-benzimidazol-2-yl)carbamate
PubChem CID51056302
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Nameethyl N-(6-methoxy-1H-benzimidazol-2-yl)carbamate
SMILESCCOC(=O)Nc1nc2ccc(OC)cc2[nH]1
InChIInChI=1S/C11H13N3O3/c1-3-17-11(15)14-10-12-8-5-4-7(16-2)6-9(8)13-10/h4-6H,3H2,1-2H3,(H2,12,13,14,15)
InChIKeyRBDQJYMDVBHECK-UHFFFAOYSA-N
XLogP2.14
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(6-methoxy-1H-benzimidazol-2-yl)carbamate?
The IUPAC name of ethyl N-(6-methoxy-1H-benzimidazol-2-yl)carbamate (CID 51056302) is ethyl N-(6-methoxy-1H-benzimidazol-2-yl)carbamate.
What is the SMILES notation for ethyl N-(6-methoxy-1H-benzimidazol-2-yl)carbamate?
The canonical SMILES for ethyl N-(6-methoxy-1H-benzimidazol-2-yl)carbamate is CCOC(=O)Nc1nc2ccc(OC)cc2[nH]1.
What is the InChIKey of ethyl N-(6-methoxy-1H-benzimidazol-2-yl)carbamate?
The InChIKey is RBDQJYMDVBHECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-3-17-11(15)14-10-12-8-5-4-7(16-2)6-9(8)13-10/h4-6H,3H2,1-2H3,(H2,12,13,14,15).
What are the key properties of ethyl N-(6-methoxy-1H-benzimidazol-2-yl)carbamate?
ethyl N-(6-methoxy-1H-benzimidazol-2-yl)carbamate has a molecular weight of 235.24 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(6-methoxy-1H-benzimidazol-2-yl)carbamate is sourced from PubChem (CID 51056302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).