2-(5,6-dimethylbenzimidazol-1-yl)ethyl N,N-dimethylcarbamate

C14H19N3O2 — CID 91661402

IUPAC2-(5,6-dimethylbenzimidazol-1-yl)ethyl N,N-dimethylcarbamate
SMILESCc1cc2ncn(CCOC(=O)N(C)C)c2cc1C
InChIInChI=1S/C14H19N3O2/c1-10-7-12-13(8-11(10)2)17(9-15-12)5-6-19-14(18)16(3)4/h7-9H,5-6H2,1-4H3
InChIKeyDCRSOJRISZJJQG-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.35
Rot. Bonds3

About 2-(5,6-dimethylbenzimidazol-1-yl)ethyl N,N-dimethylcarbamate

2-(5,6-dimethylbenzimidazol-1-yl)ethyl N,N-dimethylcarbamate (PubChem CID 91661402) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-(5,6-dimethylbenzimidazol-1-yl)ethyl N,N-dimethylcarbamate.

Molecular Properties

Compound Name2-(5,6-dimethylbenzimidazol-1-yl)ethyl N,N-dimethylcarbamate
PubChem CID91661402
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-(5,6-dimethylbenzimidazol-1-yl)ethyl N,N-dimethylcarbamate
SMILESCc1cc2ncn(CCOC(=O)N(C)C)c2cc1C
InChIInChI=1S/C14H19N3O2/c1-10-7-12-13(8-11(10)2)17(9-15-12)5-6-19-14(18)16(3)4/h7-9H,5-6H2,1-4H3
InChIKeyDCRSOJRISZJJQG-UHFFFAOYSA-N
XLogP2.35
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethylbenzimidazol-1-yl)ethyl N,N-dimethylcarbamate?
The IUPAC name of 2-(5,6-dimethylbenzimidazol-1-yl)ethyl N,N-dimethylcarbamate (CID 91661402) is 2-(5,6-dimethylbenzimidazol-1-yl)ethyl N,N-dimethylcarbamate.
What is the SMILES notation for 2-(5,6-dimethylbenzimidazol-1-yl)ethyl N,N-dimethylcarbamate?
The canonical SMILES for 2-(5,6-dimethylbenzimidazol-1-yl)ethyl N,N-dimethylcarbamate is Cc1cc2ncn(CCOC(=O)N(C)C)c2cc1C.
What is the InChIKey of 2-(5,6-dimethylbenzimidazol-1-yl)ethyl N,N-dimethylcarbamate?
The InChIKey is DCRSOJRISZJJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-10-7-12-13(8-11(10)2)17(9-15-12)5-6-19-14(18)16(3)4/h7-9H,5-6H2,1-4H3.
What are the key properties of 2-(5,6-dimethylbenzimidazol-1-yl)ethyl N,N-dimethylcarbamate?
2-(5,6-dimethylbenzimidazol-1-yl)ethyl N,N-dimethylcarbamate has a molecular weight of 261.32 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethylbenzimidazol-1-yl)ethyl N,N-dimethylcarbamate is sourced from PubChem (CID 91661402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).