6,7-difluoro-1-(6-methylheptan-2-yl)benzimidazol-2-amine

C15H21F2N3 — CID 62532732

IUPAC6,7-difluoro-1-(6-methylheptan-2-yl)benzimidazol-2-amine
SMILESCC(C)CCCC(C)n1c(N)nc2ccc(F)c(F)c21
InChIInChI=1S/C15H21F2N3/c1-9(2)5-4-6-10(3)20-14-12(19-15(20)18)8-7-11(16)13(14)17/h7-10H,4-6H2,1-3H3,(H2,18,19)
InChIKeyYRFFEHSNCUAUDV-UHFFFAOYSA-N
MW281.35 g/mol
LogP4.28
Rot. Bonds5

About 6,7-difluoro-1-(6-methylheptan-2-yl)benzimidazol-2-amine

6,7-difluoro-1-(6-methylheptan-2-yl)benzimidazol-2-amine (PubChem CID 62532732) has the molecular formula C15H21F2N3 and a molecular weight of 281.35 g/mol. Its IUPAC name is 6,7-difluoro-1-(6-methylheptan-2-yl)benzimidazol-2-amine.

Molecular Properties

Compound Name6,7-difluoro-1-(6-methylheptan-2-yl)benzimidazol-2-amine
PubChem CID62532732
Molecular FormulaC15H21F2N3
Molecular Weight281.35 g/mol
Exact Mass281.17
IUPAC Name6,7-difluoro-1-(6-methylheptan-2-yl)benzimidazol-2-amine
SMILESCC(C)CCCC(C)n1c(N)nc2ccc(F)c(F)c21
InChIInChI=1S/C15H21F2N3/c1-9(2)5-4-6-10(3)20-14-12(19-15(20)18)8-7-11(16)13(14)17/h7-10H,4-6H2,1-3H3,(H2,18,19)
InChIKeyYRFFEHSNCUAUDV-UHFFFAOYSA-N
XLogP4.28
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-1-(6-methylheptan-2-yl)benzimidazol-2-amine?
The IUPAC name of 6,7-difluoro-1-(6-methylheptan-2-yl)benzimidazol-2-amine (CID 62532732) is 6,7-difluoro-1-(6-methylheptan-2-yl)benzimidazol-2-amine.
What is the SMILES notation for 6,7-difluoro-1-(6-methylheptan-2-yl)benzimidazol-2-amine?
The canonical SMILES for 6,7-difluoro-1-(6-methylheptan-2-yl)benzimidazol-2-amine is CC(C)CCCC(C)n1c(N)nc2ccc(F)c(F)c21.
What is the InChIKey of 6,7-difluoro-1-(6-methylheptan-2-yl)benzimidazol-2-amine?
The InChIKey is YRFFEHSNCUAUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N3/c1-9(2)5-4-6-10(3)20-14-12(19-15(20)18)8-7-11(16)13(14)17/h7-10H,4-6H2,1-3H3,(H2,18,19).
What are the key properties of 6,7-difluoro-1-(6-methylheptan-2-yl)benzimidazol-2-amine?
6,7-difluoro-1-(6-methylheptan-2-yl)benzimidazol-2-amine has a molecular weight of 281.35 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-1-(6-methylheptan-2-yl)benzimidazol-2-amine is sourced from PubChem (CID 62532732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).