6-fluoro-N-(5-methylhexan-2-yl)-1H-benzimidazol-2-amine

C14H20FN3 — CID 103294950

IUPAC6-fluoro-N-(5-methylhexan-2-yl)-1H-benzimidazol-2-amine
SMILESCC(C)CCC(C)Nc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C14H20FN3/c1-9(2)4-5-10(3)16-14-17-12-7-6-11(15)8-13(12)18-14/h6-10H,4-5H2,1-3H3,(H2,16,17,18)
InChIKeyCLYXRIAFWLLHCO-UHFFFAOYSA-N
MW249.33 g/mol
LogP3.94
Rot. Bonds5

About 6-fluoro-N-(5-methylhexan-2-yl)-1H-benzimidazol-2-amine

6-fluoro-N-(5-methylhexan-2-yl)-1H-benzimidazol-2-amine (PubChem CID 103294950) has the molecular formula C14H20FN3 and a molecular weight of 249.33 g/mol. Its IUPAC name is 6-fluoro-N-(5-methylhexan-2-yl)-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name6-fluoro-N-(5-methylhexan-2-yl)-1H-benzimidazol-2-amine
PubChem CID103294950
Molecular FormulaC14H20FN3
Molecular Weight249.33 g/mol
Exact Mass249.16
IUPAC Name6-fluoro-N-(5-methylhexan-2-yl)-1H-benzimidazol-2-amine
SMILESCC(C)CCC(C)Nc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C14H20FN3/c1-9(2)4-5-10(3)16-14-17-12-7-6-11(15)8-13(12)18-14/h6-10H,4-5H2,1-3H3,(H2,16,17,18)
InChIKeyCLYXRIAFWLLHCO-UHFFFAOYSA-N
XLogP3.94
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-(6-fluoro-1H-benzimidazol-2-yl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 103294842
6-fluoro-N-octan-4-yl-1H-benzimidazol-2-amine
CID 106026592
6-fluoro-N-(1-pyridin-4-ylethyl)-1H-benzimidazol-2-amine
CID 103294716
1-N-(6-fluoro-1H-benzimidazol-2-yl)-3-methylbutane-1,2-diamine
CID 103295277
6-fluoro-N-[1-(3-fluoro-4-methylphenyl)ethyl]-1H-benzimidazol-2-amine
CID 103295041
6-fluoro-N-(1-pyridin-3-ylethyl)-1H-benzimidazol-2-amine
CID 103294715
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-6-fluoro-1H-benzimidazol-2-amine
CID 103295085
6-fluoro-N-(1-piperidin-3-ylethyl)-1H-benzimidazol-2-amine
CID 103295220
N-(6-fluoro-1H-benzimidazol-2-yl)-N',N'-dimethylethane-1,2-diamine
CID 103294650
N-decyl-6-fluoro-1H-benzimidazol-2-amine
CID 103295033
2-[(6-fluoro-1H-benzimidazol-2-yl)amino]-3-phenylpropan-1-ol
CID 103294929
N-(4-chloro-2-ethylbutyl)-6-fluoro-1H-benzimidazol-2-amine
CID 103295597

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(5-methylhexan-2-yl)-1H-benzimidazol-2-amine?
The IUPAC name of 6-fluoro-N-(5-methylhexan-2-yl)-1H-benzimidazol-2-amine (CID 103294950) is 6-fluoro-N-(5-methylhexan-2-yl)-1H-benzimidazol-2-amine.
What is the SMILES notation for 6-fluoro-N-(5-methylhexan-2-yl)-1H-benzimidazol-2-amine?
The canonical SMILES for 6-fluoro-N-(5-methylhexan-2-yl)-1H-benzimidazol-2-amine is CC(C)CCC(C)Nc1nc2ccc(F)cc2[nH]1.
What is the InChIKey of 6-fluoro-N-(5-methylhexan-2-yl)-1H-benzimidazol-2-amine?
The InChIKey is CLYXRIAFWLLHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3/c1-9(2)4-5-10(3)16-14-17-12-7-6-11(15)8-13(12)18-14/h6-10H,4-5H2,1-3H3,(H2,16,17,18).
What are the key properties of 6-fluoro-N-(5-methylhexan-2-yl)-1H-benzimidazol-2-amine?
6-fluoro-N-(5-methylhexan-2-yl)-1H-benzimidazol-2-amine has a molecular weight of 249.33 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(5-methylhexan-2-yl)-1H-benzimidazol-2-amine is sourced from PubChem (CID 103294950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).