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

C15H20ClN3 — CID 63546409

IUPAC5-chloro-1-(1-cyclohexylethyl)benzimidazol-2-amine
SMILESCC(C1CCCCC1)n1c(N)nc2cc(Cl)ccc21
InChIInChI=1S/C15H20ClN3/c1-10(11-5-3-2-4-6-11)19-14-8-7-12(16)9-13(14)18-15(19)17/h7-11H,2-6H2,1H3,(H2,17,18)
InChIKeyHONAYFXIAQPIDN-UHFFFAOYSA-N
MW277.80 g/mol
LogP4.41
Rot. Bonds2

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

5-chloro-1-(1-cyclohexylethyl)benzimidazol-2-amine (PubChem CID 63546409) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is 5-chloro-1-(1-cyclohexylethyl)benzimidazol-2-amine.

Molecular Properties

Compound Name5-chloro-1-(1-cyclohexylethyl)benzimidazol-2-amine
PubChem CID63546409
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC Name5-chloro-1-(1-cyclohexylethyl)benzimidazol-2-amine
SMILESCC(C1CCCCC1)n1c(N)nc2cc(Cl)ccc21
InChIInChI=1S/C15H20ClN3/c1-10(11-5-3-2-4-6-11)19-14-8-7-12(16)9-13(14)18-15(19)17/h7-11H,2-6H2,1H3,(H2,17,18)
InChIKeyHONAYFXIAQPIDN-UHFFFAOYSA-N
XLogP4.41
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(1-cyclohexylethyl)benzimidazol-2-amine?
The IUPAC name of 5-chloro-1-(1-cyclohexylethyl)benzimidazol-2-amine (CID 63546409) is 5-chloro-1-(1-cyclohexylethyl)benzimidazol-2-amine.
What is the SMILES notation for 5-chloro-1-(1-cyclohexylethyl)benzimidazol-2-amine?
The canonical SMILES for 5-chloro-1-(1-cyclohexylethyl)benzimidazol-2-amine is CC(C1CCCCC1)n1c(N)nc2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-1-(1-cyclohexylethyl)benzimidazol-2-amine?
The InChIKey is HONAYFXIAQPIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3/c1-10(11-5-3-2-4-6-11)19-14-8-7-12(16)9-13(14)18-15(19)17/h7-11H,2-6H2,1H3,(H2,17,18).
What are the key properties of 5-chloro-1-(1-cyclohexylethyl)benzimidazol-2-amine?
5-chloro-1-(1-cyclohexylethyl)benzimidazol-2-amine has a molecular weight of 277.80 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(1-cyclohexylethyl)benzimidazol-2-amine is sourced from PubChem (CID 63546409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).