ethyl N-methyl-N-(1-methylbenzimidazol-5-yl)carbamate

C12H15N3O2 — CID 110869320

IUPACethyl N-methyl-N-(1-methylbenzimidazol-5-yl)carbamate
SMILESCCOC(=O)N(C)c1ccc2c(c1)ncn2C
InChIInChI=1S/C12H15N3O2/c1-4-17-12(16)15(3)9-5-6-11-10(7-9)13-8-14(11)2/h5-8H,4H2,1-3H3
InChIKeyZVADJFWLDHEWDK-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.17
Rot. Bonds2

About ethyl N-methyl-N-(1-methylbenzimidazol-5-yl)carbamate

ethyl N-methyl-N-(1-methylbenzimidazol-5-yl)carbamate (PubChem CID 110869320) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is ethyl N-methyl-N-(1-methylbenzimidazol-5-yl)carbamate.

Molecular Properties

Compound Nameethyl N-methyl-N-(1-methylbenzimidazol-5-yl)carbamate
PubChem CID110869320
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Nameethyl N-methyl-N-(1-methylbenzimidazol-5-yl)carbamate
SMILESCCOC(=O)N(C)c1ccc2c(c1)ncn2C
InChIInChI=1S/C12H15N3O2/c1-4-17-12(16)15(3)9-5-6-11-10(7-9)13-8-14(11)2/h5-8H,4H2,1-3H3
InChIKeyZVADJFWLDHEWDK-UHFFFAOYSA-N
XLogP2.17
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl N-methyl-N-(1-methylbenzimidazol-5-yl)carbamate?
The IUPAC name of ethyl N-methyl-N-(1-methylbenzimidazol-5-yl)carbamate (CID 110869320) is ethyl N-methyl-N-(1-methylbenzimidazol-5-yl)carbamate.
What is the SMILES notation for ethyl N-methyl-N-(1-methylbenzimidazol-5-yl)carbamate?
The canonical SMILES for ethyl N-methyl-N-(1-methylbenzimidazol-5-yl)carbamate is CCOC(=O)N(C)c1ccc2c(c1)ncn2C.
What is the InChIKey of ethyl N-methyl-N-(1-methylbenzimidazol-5-yl)carbamate?
The InChIKey is ZVADJFWLDHEWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-4-17-12(16)15(3)9-5-6-11-10(7-9)13-8-14(11)2/h5-8H,4H2,1-3H3.
What are the key properties of ethyl N-methyl-N-(1-methylbenzimidazol-5-yl)carbamate?
ethyl N-methyl-N-(1-methylbenzimidazol-5-yl)carbamate has a molecular weight of 233.27 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-methyl-N-(1-methylbenzimidazol-5-yl)carbamate is sourced from PubChem (CID 110869320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).