ethyl N-(1-cyclohexylbenzimidazol-5-yl)carbamate

C16H21N3O2 — CID 713250

IUPACethyl N-(1-cyclohexylbenzimidazol-5-yl)carbamate
SMILESCCOC(=O)Nc1ccc2c(c1)ncn2C1CCCCC1
InChIInChI=1S/C16H21N3O2/c1-2-21-16(20)18-12-8-9-15-14(10-12)17-11-19(15)13-6-4-3-5-7-13/h8-11,13H,2-7H2,1H3,(H,18,20)
InChIKeyQHQFOOVNQHEBGZ-UHFFFAOYSA-N
MW287.36 g/mol
LogP4.11
Rot. Bonds3

About ethyl N-(1-cyclohexylbenzimidazol-5-yl)carbamate

ethyl N-(1-cyclohexylbenzimidazol-5-yl)carbamate (PubChem CID 713250) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is ethyl N-(1-cyclohexylbenzimidazol-5-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(1-cyclohexylbenzimidazol-5-yl)carbamate
PubChem CID713250
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Nameethyl N-(1-cyclohexylbenzimidazol-5-yl)carbamate
SMILESCCOC(=O)Nc1ccc2c(c1)ncn2C1CCCCC1
InChIInChI=1S/C16H21N3O2/c1-2-21-16(20)18-12-8-9-15-14(10-12)17-11-19(15)13-6-4-3-5-7-13/h8-11,13H,2-7H2,1H3,(H,18,20)
InChIKeyQHQFOOVNQHEBGZ-UHFFFAOYSA-N
XLogP4.11
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(1-cyclohexylbenzimidazol-5-yl)carbamate?
The IUPAC name of ethyl N-(1-cyclohexylbenzimidazol-5-yl)carbamate (CID 713250) is ethyl N-(1-cyclohexylbenzimidazol-5-yl)carbamate.
What is the SMILES notation for ethyl N-(1-cyclohexylbenzimidazol-5-yl)carbamate?
The canonical SMILES for ethyl N-(1-cyclohexylbenzimidazol-5-yl)carbamate is CCOC(=O)Nc1ccc2c(c1)ncn2C1CCCCC1.
What is the InChIKey of ethyl N-(1-cyclohexylbenzimidazol-5-yl)carbamate?
The InChIKey is QHQFOOVNQHEBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-2-21-16(20)18-12-8-9-15-14(10-12)17-11-19(15)13-6-4-3-5-7-13/h8-11,13H,2-7H2,1H3,(H,18,20).
What are the key properties of ethyl N-(1-cyclohexylbenzimidazol-5-yl)carbamate?
ethyl N-(1-cyclohexylbenzimidazol-5-yl)carbamate has a molecular weight of 287.36 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(1-cyclohexylbenzimidazol-5-yl)carbamate is sourced from PubChem (CID 713250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).