1-(2-aminoethyl)-5-fluoro-N-methyl-N-(2-methylpropyl)benzimidazol-2-amine

C14H21FN4 — CID 115144201

IUPAC1-(2-aminoethyl)-5-fluoro-N-methyl-N-(2-methylpropyl)benzimidazol-2-amine
SMILESCC(C)CN(C)c1nc2cc(F)ccc2n1CCN
InChIInChI=1S/C14H21FN4/c1-10(2)9-18(3)14-17-12-8-11(15)4-5-13(12)19(14)7-6-16/h4-5,8,10H,6-7,9,16H2,1-3H3
InChIKeyYUMLRICEPXMFDB-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.23
Rot. Bonds5

About 1-(2-aminoethyl)-5-fluoro-N-methyl-N-(2-methylpropyl)benzimidazol-2-amine

1-(2-aminoethyl)-5-fluoro-N-methyl-N-(2-methylpropyl)benzimidazol-2-amine (PubChem CID 115144201) has the molecular formula C14H21FN4 and a molecular weight of 264.35 g/mol. Its IUPAC name is 1-(2-aminoethyl)-5-fluoro-N-methyl-N-(2-methylpropyl)benzimidazol-2-amine.

Molecular Properties

Compound Name1-(2-aminoethyl)-5-fluoro-N-methyl-N-(2-methylpropyl)benzimidazol-2-amine
PubChem CID115144201
Molecular FormulaC14H21FN4
Molecular Weight264.35 g/mol
Exact Mass264.18
IUPAC Name1-(2-aminoethyl)-5-fluoro-N-methyl-N-(2-methylpropyl)benzimidazol-2-amine
SMILESCC(C)CN(C)c1nc2cc(F)ccc2n1CCN
InChIInChI=1S/C14H21FN4/c1-10(2)9-18(3)14-17-12-8-11(15)4-5-13(12)19(14)7-6-16/h4-5,8,10H,6-7,9,16H2,1-3H3
InChIKeyYUMLRICEPXMFDB-UHFFFAOYSA-N
XLogP2.23
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[1-(dimethylamino)ethyl]-5-fluorobenzimidazol-1-yl]butan-1-amine
CID 82310864
2-(2-bromo-5-fluorobenzimidazol-1-yl)ethanamine
CID 84805700
1-(2-aminoethyl)-N,5-dimethyl-N-propan-2-ylbenzimidazol-2-amine
CID 115144217
1-[1-(3-aminopropyl)-5-fluorobenzimidazol-2-yl]-N,N-dimethylpropan-1-amine
CID 82310809
3-[2-[1-(diethylamino)ethyl]-5-fluorobenzimidazol-1-yl]propan-1-amine
CID 82310804
2-chloro-5-fluoro-1-(2-methylpropyl)benzimidazole
CID 84791133
2-[5-fluoro-2-(pyrrolidin-1-ylmethyl)benzimidazol-1-yl]ethanamine
CID 82310602
2-(chloromethyl)-5-fluoro-1-(7-methyloctyl)benzimidazole
CID 107817097
2-[2-[1-(dimethylamino)-2-methylpropyl]-5-fluorobenzimidazol-1-yl]ethanol
CID 82311768
1-(1-butyl-5-fluorobenzimidazol-2-yl)ethanamine
CID 82332092
5-fluoro-1-(3-methylsulfanylbutyl)benzimidazol-2-amine
CID 113494111
N-[[1-(3-aminopropyl)-5-fluorobenzimidazol-2-yl]methyl]-N-methylbutan-1-amine
CID 82310769

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-5-fluoro-N-methyl-N-(2-methylpropyl)benzimidazol-2-amine?
The IUPAC name of 1-(2-aminoethyl)-5-fluoro-N-methyl-N-(2-methylpropyl)benzimidazol-2-amine (CID 115144201) is 1-(2-aminoethyl)-5-fluoro-N-methyl-N-(2-methylpropyl)benzimidazol-2-amine.
What is the SMILES notation for 1-(2-aminoethyl)-5-fluoro-N-methyl-N-(2-methylpropyl)benzimidazol-2-amine?
The canonical SMILES for 1-(2-aminoethyl)-5-fluoro-N-methyl-N-(2-methylpropyl)benzimidazol-2-amine is CC(C)CN(C)c1nc2cc(F)ccc2n1CCN.
What is the InChIKey of 1-(2-aminoethyl)-5-fluoro-N-methyl-N-(2-methylpropyl)benzimidazol-2-amine?
The InChIKey is YUMLRICEPXMFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN4/c1-10(2)9-18(3)14-17-12-8-11(15)4-5-13(12)19(14)7-6-16/h4-5,8,10H,6-7,9,16H2,1-3H3.
What are the key properties of 1-(2-aminoethyl)-5-fluoro-N-methyl-N-(2-methylpropyl)benzimidazol-2-amine?
1-(2-aminoethyl)-5-fluoro-N-methyl-N-(2-methylpropyl)benzimidazol-2-amine has a molecular weight of 264.35 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-5-fluoro-N-methyl-N-(2-methylpropyl)benzimidazol-2-amine is sourced from PubChem (CID 115144201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).