5-chloro-1-(2-cyclohexyloxyethyl)benzimidazol-2-amine

C15H20ClN3O — CID 63826682

IUPAC5-chloro-1-(2-cyclohexyloxyethyl)benzimidazol-2-amine
SMILESNc1nc2cc(Cl)ccc2n1CCOC1CCCCC1
InChIInChI=1S/C15H20ClN3O/c16-11-6-7-14-13(10-11)18-15(17)19(14)8-9-20-12-4-2-1-3-5-12/h6-7,10,12H,1-5,8-9H2,(H2,17,18)
InChIKeyFPBYQUBFIUIOOU-UHFFFAOYSA-N
MW293.80 g/mol
LogP3.62
Rot. Bonds4

About 5-chloro-1-(2-cyclohexyloxyethyl)benzimidazol-2-amine

5-chloro-1-(2-cyclohexyloxyethyl)benzimidazol-2-amine (PubChem CID 63826682) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is 5-chloro-1-(2-cyclohexyloxyethyl)benzimidazol-2-amine.

Molecular Properties

Compound Name5-chloro-1-(2-cyclohexyloxyethyl)benzimidazol-2-amine
PubChem CID63826682
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC Name5-chloro-1-(2-cyclohexyloxyethyl)benzimidazol-2-amine
SMILESNc1nc2cc(Cl)ccc2n1CCOC1CCCCC1
InChIInChI=1S/C15H20ClN3O/c16-11-6-7-14-13(10-11)18-15(17)19(14)8-9-20-12-4-2-1-3-5-12/h6-7,10,12H,1-5,8-9H2,(H2,17,18)
InChIKeyFPBYQUBFIUIOOU-UHFFFAOYSA-N
XLogP3.62
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(2-cyclohexyloxyethyl)benzimidazol-2-amine?
The IUPAC name of 5-chloro-1-(2-cyclohexyloxyethyl)benzimidazol-2-amine (CID 63826682) is 5-chloro-1-(2-cyclohexyloxyethyl)benzimidazol-2-amine.
What is the SMILES notation for 5-chloro-1-(2-cyclohexyloxyethyl)benzimidazol-2-amine?
The canonical SMILES for 5-chloro-1-(2-cyclohexyloxyethyl)benzimidazol-2-amine is Nc1nc2cc(Cl)ccc2n1CCOC1CCCCC1.
What is the InChIKey of 5-chloro-1-(2-cyclohexyloxyethyl)benzimidazol-2-amine?
The InChIKey is FPBYQUBFIUIOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O/c16-11-6-7-14-13(10-11)18-15(17)19(14)8-9-20-12-4-2-1-3-5-12/h6-7,10,12H,1-5,8-9H2,(H2,17,18).
What are the key properties of 5-chloro-1-(2-cyclohexyloxyethyl)benzimidazol-2-amine?
5-chloro-1-(2-cyclohexyloxyethyl)benzimidazol-2-amine has a molecular weight of 293.80 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(2-cyclohexyloxyethyl)benzimidazol-2-amine is sourced from PubChem (CID 63826682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).