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

C15H19N3O2 — CID 713127

IUPACmethyl N-(1-cyclohexylbenzimidazol-5-yl)carbamate
SMILESCOC(=O)Nc1ccc2c(c1)ncn2C1CCCCC1
InChIInChI=1S/C15H19N3O2/c1-20-15(19)17-11-7-8-14-13(9-11)16-10-18(14)12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3,(H,17,19)
InChIKeyKRXPUDLIASTIKP-UHFFFAOYSA-N
MW273.34 g/mol
LogP3.72
Rot. Bonds2

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

methyl N-(1-cyclohexylbenzimidazol-5-yl)carbamate (PubChem CID 713127) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is methyl N-(1-cyclohexylbenzimidazol-5-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(1-cyclohexylbenzimidazol-5-yl)carbamate
PubChem CID713127
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Namemethyl N-(1-cyclohexylbenzimidazol-5-yl)carbamate
SMILESCOC(=O)Nc1ccc2c(c1)ncn2C1CCCCC1
InChIInChI=1S/C15H19N3O2/c1-20-15(19)17-11-7-8-14-13(9-11)16-10-18(14)12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3,(H,17,19)
InChIKeyKRXPUDLIASTIKP-UHFFFAOYSA-N
XLogP3.72
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl N-(1-cyclohexylbenzimidazol-5-yl)carbamate?
The IUPAC name of methyl N-(1-cyclohexylbenzimidazol-5-yl)carbamate (CID 713127) is methyl N-(1-cyclohexylbenzimidazol-5-yl)carbamate.
What is the SMILES notation for methyl N-(1-cyclohexylbenzimidazol-5-yl)carbamate?
The canonical SMILES for methyl N-(1-cyclohexylbenzimidazol-5-yl)carbamate is COC(=O)Nc1ccc2c(c1)ncn2C1CCCCC1.
What is the InChIKey of methyl N-(1-cyclohexylbenzimidazol-5-yl)carbamate?
The InChIKey is KRXPUDLIASTIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-20-15(19)17-11-7-8-14-13(9-11)16-10-18(14)12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3,(H,17,19).
What are the key properties of methyl N-(1-cyclohexylbenzimidazol-5-yl)carbamate?
methyl N-(1-cyclohexylbenzimidazol-5-yl)carbamate has a molecular weight of 273.34 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(1-cyclohexylbenzimidazol-5-yl)carbamate is sourced from PubChem (CID 713127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).