6-chloro-1-(5-methylhexan-2-yl)benzimidazol-2-amine

C14H20ClN3 — CID 113316215

IUPAC6-chloro-1-(5-methylhexan-2-yl)benzimidazol-2-amine
SMILESCC(C)CCC(C)n1c(N)nc2ccc(Cl)cc21
InChIInChI=1S/C14H20ClN3/c1-9(2)4-5-10(3)18-13-8-11(15)6-7-12(13)17-14(18)16/h6-10H,4-5H2,1-3H3,(H2,16,17)
InChIKeyVLHVNWQDYNKIIR-UHFFFAOYSA-N
MW265.79 g/mol
LogP4.27
Rot. Bonds4

About 6-chloro-1-(5-methylhexan-2-yl)benzimidazol-2-amine

6-chloro-1-(5-methylhexan-2-yl)benzimidazol-2-amine (PubChem CID 113316215) has the molecular formula C14H20ClN3 and a molecular weight of 265.79 g/mol. Its IUPAC name is 6-chloro-1-(5-methylhexan-2-yl)benzimidazol-2-amine.

Molecular Properties

Compound Name6-chloro-1-(5-methylhexan-2-yl)benzimidazol-2-amine
PubChem CID113316215
Molecular FormulaC14H20ClN3
Molecular Weight265.79 g/mol
Exact Mass265.13
IUPAC Name6-chloro-1-(5-methylhexan-2-yl)benzimidazol-2-amine
SMILESCC(C)CCC(C)n1c(N)nc2ccc(Cl)cc21
InChIInChI=1S/C14H20ClN3/c1-9(2)4-5-10(3)18-13-8-11(15)6-7-12(13)17-14(18)16/h6-10H,4-5H2,1-3H3,(H2,16,17)
InChIKeyVLHVNWQDYNKIIR-UHFFFAOYSA-N
XLogP4.27
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.79
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-6-fluoro-1-(5-methylhexan-2-yl)benzimidazol-2-amine
CID 66086898
5-fluoro-6-methoxy-1-(5-methylhexan-2-yl)benzimidazol-2-amine
CID 63924917
6-chloro-1-[1-(2-methylphenyl)ethyl]benzimidazol-2-amine
CID 115470510
6-chloro-1-(dicyclopropylmethyl)benzimidazol-2-amine
CID 113316180
6-fluoro-1-hexan-2-ylbenzimidazol-2-amine
CID 62377363
6-chloro-1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzimidazol-2-amine
CID 115470575
5-chloro-6-fluoro-1-(4-methylpentan-2-yl)benzimidazol-2-amine
CID 66076948
(6-chloro-1-propan-2-ylbenzimidazol-2-yl)methanamine;dihydrochloride
CID 112758022
5-chloro-1-(1-pyrrolidin-1-ylpropan-2-yl)benzimidazol-2-amine
CID 61474789
6-bromo-2-(chloromethyl)-1-(5-methylhexan-2-yl)benzimidazole
CID 65346159
2-[6-chloro-2-(chloromethyl)benzimidazol-1-yl]-N,N-dimethylpropan-1-amine
CID 82950661
1-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 46310660

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(5-methylhexan-2-yl)benzimidazol-2-amine?
The IUPAC name of 6-chloro-1-(5-methylhexan-2-yl)benzimidazol-2-amine (CID 113316215) is 6-chloro-1-(5-methylhexan-2-yl)benzimidazol-2-amine.
What is the SMILES notation for 6-chloro-1-(5-methylhexan-2-yl)benzimidazol-2-amine?
The canonical SMILES for 6-chloro-1-(5-methylhexan-2-yl)benzimidazol-2-amine is CC(C)CCC(C)n1c(N)nc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-1-(5-methylhexan-2-yl)benzimidazol-2-amine?
The InChIKey is VLHVNWQDYNKIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3/c1-9(2)4-5-10(3)18-13-8-11(15)6-7-12(13)17-14(18)16/h6-10H,4-5H2,1-3H3,(H2,16,17).
What are the key properties of 6-chloro-1-(5-methylhexan-2-yl)benzimidazol-2-amine?
6-chloro-1-(5-methylhexan-2-yl)benzimidazol-2-amine has a molecular weight of 265.79 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(5-methylhexan-2-yl)benzimidazol-2-amine is sourced from PubChem (CID 113316215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).