1-[2-(3,5-difluorophenyl)ethyl]-7-methylbenzimidazol-2-amine

C16H15F2N3 — CID 115552468

IUPAC1-[2-(3,5-difluorophenyl)ethyl]-7-methylbenzimidazol-2-amine
SMILESCc1cccc2nc(N)n(CCc3cc(F)cc(F)c3)c12
InChIInChI=1S/C16H15F2N3/c1-10-3-2-4-14-15(10)21(16(19)20-14)6-5-11-7-12(17)9-13(18)8-11/h2-4,7-9H,5-6H2,1H3,(H2,19,20)
InChIKeyNGILXZKTUPCGKB-UHFFFAOYSA-N
MW287.31 g/mol
LogP3.45
Rot. Bonds3

About 1-[2-(3,5-difluorophenyl)ethyl]-7-methylbenzimidazol-2-amine

1-[2-(3,5-difluorophenyl)ethyl]-7-methylbenzimidazol-2-amine (PubChem CID 115552468) has the molecular formula C16H15F2N3 and a molecular weight of 287.31 g/mol. Its IUPAC name is 1-[2-(3,5-difluorophenyl)ethyl]-7-methylbenzimidazol-2-amine.

Molecular Properties

Compound Name1-[2-(3,5-difluorophenyl)ethyl]-7-methylbenzimidazol-2-amine
PubChem CID115552468
Molecular FormulaC16H15F2N3
Molecular Weight287.31 g/mol
Exact Mass287.12
IUPAC Name1-[2-(3,5-difluorophenyl)ethyl]-7-methylbenzimidazol-2-amine
SMILESCc1cccc2nc(N)n(CCc3cc(F)cc(F)c3)c12
InChIInChI=1S/C16H15F2N3/c1-10-3-2-4-14-15(10)21(16(19)20-14)6-5-11-7-12(17)9-13(18)8-11/h2-4,7-9H,5-6H2,1H3,(H2,19,20)
InChIKeyNGILXZKTUPCGKB-UHFFFAOYSA-N
XLogP3.45
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(dimethylamino)ethyl]-7-methylbenzimidazol-2-amine
CID 115552143
7-methyl-1-(2-methylsulfonylethyl)benzimidazol-2-amine
CID 115552322
1-[2-(3,5-difluorophenyl)ethyl]-5-iodobenzimidazol-2-amine
CID 66082390
5-bromo-1-[2-(3,5-difluorophenyl)ethyl]benzimidazol-2-amine
CID 62616840
1-[2-(3-fluorophenyl)ethyl]-5-methylbenzimidazol-2-amine
CID 43662152
1-(3-methoxypropyl)-7-methylbenzimidazol-2-amine
CID 115552278
7-methyl-1-(3-methylsulfonylpropyl)benzimidazol-2-amine
CID 115552409
2-(2-amino-7-methylbenzimidazol-1-yl)ethyl carbamate
CID 83204061
1-[(4-bromophenyl)methyl]-7-methylbenzimidazol-2-amine
CID 115552239
1-(3-cyclopentylpropyl)-7-methylbenzimidazol-2-amine
CID 106008021
6-fluoro-1-[2-(2-methylphenyl)ethyl]benzimidazol-2-amine
CID 79757549
1,7-dimethylbenzimidazol-2-amine;ethane
CID 170767427

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-difluorophenyl)ethyl]-7-methylbenzimidazol-2-amine?
The IUPAC name of 1-[2-(3,5-difluorophenyl)ethyl]-7-methylbenzimidazol-2-amine (CID 115552468) is 1-[2-(3,5-difluorophenyl)ethyl]-7-methylbenzimidazol-2-amine.
What is the SMILES notation for 1-[2-(3,5-difluorophenyl)ethyl]-7-methylbenzimidazol-2-amine?
The canonical SMILES for 1-[2-(3,5-difluorophenyl)ethyl]-7-methylbenzimidazol-2-amine is Cc1cccc2nc(N)n(CCc3cc(F)cc(F)c3)c12.
What is the InChIKey of 1-[2-(3,5-difluorophenyl)ethyl]-7-methylbenzimidazol-2-amine?
The InChIKey is NGILXZKTUPCGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N3/c1-10-3-2-4-14-15(10)21(16(19)20-14)6-5-11-7-12(17)9-13(18)8-11/h2-4,7-9H,5-6H2,1H3,(H2,19,20).
What are the key properties of 1-[2-(3,5-difluorophenyl)ethyl]-7-methylbenzimidazol-2-amine?
1-[2-(3,5-difluorophenyl)ethyl]-7-methylbenzimidazol-2-amine has a molecular weight of 287.31 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-difluorophenyl)ethyl]-7-methylbenzimidazol-2-amine is sourced from PubChem (CID 115552468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).