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

C15H22FN3O — CID 63924917

IUPAC5-fluoro-6-methoxy-1-(5-methylhexan-2-yl)benzimidazol-2-amine
SMILESCOc1cc2c(cc1F)nc(N)n2C(C)CCC(C)C
InChIInChI=1S/C15H22FN3O/c1-9(2)5-6-10(3)19-13-8-14(20-4)11(16)7-12(13)18-15(19)17/h7-10H,5-6H2,1-4H3,(H2,17,18)
InChIKeyDVIQMCLPQAFUFU-UHFFFAOYSA-N
MW279.36 g/mol
LogP3.76
Rot. Bonds5

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

5-fluoro-6-methoxy-1-(5-methylhexan-2-yl)benzimidazol-2-amine (PubChem CID 63924917) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is 5-fluoro-6-methoxy-1-(5-methylhexan-2-yl)benzimidazol-2-amine.

Molecular Properties

Compound Name5-fluoro-6-methoxy-1-(5-methylhexan-2-yl)benzimidazol-2-amine
PubChem CID63924917
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name5-fluoro-6-methoxy-1-(5-methylhexan-2-yl)benzimidazol-2-amine
SMILESCOc1cc2c(cc1F)nc(N)n2C(C)CCC(C)C
InChIInChI=1S/C15H22FN3O/c1-9(2)5-6-10(3)19-13-8-14(20-4)11(16)7-12(13)18-15(19)17/h7-10H,5-6H2,1-4H3,(H2,17,18)
InChIKeyDVIQMCLPQAFUFU-UHFFFAOYSA-N
XLogP3.76
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-6-fluoro-1-(5-methylhexan-2-yl)benzimidazol-2-amine
CID 66086898
6-chloro-1-(5-methylhexan-2-yl)benzimidazol-2-amine
CID 113316215
6-bromo-5-fluoro-1-hexan-2-ylbenzimidazol-2-amine
CID 116738290
5-chloro-6-fluoro-1-(4-methylpentan-2-yl)benzimidazol-2-amine
CID 66076948
5,6-dimethoxy-1-(1-methoxypentan-2-yl)benzimidazol-2-amine
CID 83003459
1-butan-2-yl-2-(chloromethyl)-5-fluoro-6-methoxybenzimidazole
CID 63598249
6-fluoro-5-methoxy-3-(5-methylhexan-2-yl)-1H-benzimidazole-2-thione
CID 63925915
5,6-dimethoxy-1-(5-methylhexyl)benzimidazol-2-amine
CID 83003477
1-(4-bromophenyl)-5-fluoro-6-methoxybenzimidazol-2-amine
CID 63599811
1-(3,4-dimethylphenyl)-5-fluoro-6-methoxybenzimidazol-2-amine
CID 63599291
1-(2,6-dibromophenyl)-5-fluoro-6-methoxybenzimidazol-2-amine
CID 107601345
1-(2-butoxyethyl)-5-fluoro-6-methoxybenzimidazol-2-amine
CID 63597555

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-methoxy-1-(5-methylhexan-2-yl)benzimidazol-2-amine?
The IUPAC name of 5-fluoro-6-methoxy-1-(5-methylhexan-2-yl)benzimidazol-2-amine (CID 63924917) is 5-fluoro-6-methoxy-1-(5-methylhexan-2-yl)benzimidazol-2-amine.
What is the SMILES notation for 5-fluoro-6-methoxy-1-(5-methylhexan-2-yl)benzimidazol-2-amine?
The canonical SMILES for 5-fluoro-6-methoxy-1-(5-methylhexan-2-yl)benzimidazol-2-amine is COc1cc2c(cc1F)nc(N)n2C(C)CCC(C)C.
What is the InChIKey of 5-fluoro-6-methoxy-1-(5-methylhexan-2-yl)benzimidazol-2-amine?
The InChIKey is DVIQMCLPQAFUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-9(2)5-6-10(3)19-13-8-14(20-4)11(16)7-12(13)18-15(19)17/h7-10H,5-6H2,1-4H3,(H2,17,18).
What are the key properties of 5-fluoro-6-methoxy-1-(5-methylhexan-2-yl)benzimidazol-2-amine?
5-fluoro-6-methoxy-1-(5-methylhexan-2-yl)benzimidazol-2-amine has a molecular weight of 279.36 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-methoxy-1-(5-methylhexan-2-yl)benzimidazol-2-amine is sourced from PubChem (CID 63924917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).