2-[(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)methyl]aniline

C17H18FN3 — CID 62535351

IUPAC2-[(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)methyl]aniline
SMILESCC(C)n1c(Cc2ccccc2N)nc2ccc(F)cc21
InChIInChI=1S/C17H18FN3/c1-11(2)21-16-10-13(18)7-8-15(16)20-17(21)9-12-5-3-4-6-14(12)19/h3-8,10-11H,9,19H2,1-2H3
InChIKeyGTWDFYVTAMWVHV-UHFFFAOYSA-N
MW283.35 g/mol
LogP3.93
Rot. Bonds3

About 2-[(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)methyl]aniline

2-[(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)methyl]aniline (PubChem CID 62535351) has the molecular formula C17H18FN3 and a molecular weight of 283.35 g/mol. Its IUPAC name is 2-[(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)methyl]aniline.

Molecular Properties

Compound Name2-[(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)methyl]aniline
PubChem CID62535351
Molecular FormulaC17H18FN3
Molecular Weight283.35 g/mol
Exact Mass283.15
IUPAC Name2-[(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)methyl]aniline
SMILESCC(C)n1c(Cc2ccccc2N)nc2ccc(F)cc21
InChIInChI=1S/C17H18FN3/c1-11(2)21-16-10-13(18)7-8-15(16)20-17(21)9-12-5-3-4-6-14(12)19/h3-8,10-11H,9,19H2,1-2H3
InChIKeyGTWDFYVTAMWVHV-UHFFFAOYSA-N
XLogP3.93
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)-2-methylaniline
CID 62946745
1-[(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)methyl]pyrazol-4-amine
CID 62378133
[2-[(1-propan-2-ylbenzimidazol-2-yl)methyl]phenyl]methanamine
CID 81312674
1-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 62377080
2-[(1-ethylbenzimidazol-2-yl)methyl]aniline
CID 62535348
2-(chloromethyl)-1-[1-(2-chlorophenyl)ethyl]-6-fluorobenzimidazole
CID 62377043
2-[2-(chloromethyl)-6-fluorobenzimidazol-1-yl]-N-methylpropanamide
CID 62376352
2-(aminomethyl)-3-propan-2-ylbenzimidazol-5-amine
CID 84777993
3-[(1-propan-2-ylbenzimidazol-2-yl)methyl]aniline
CID 65346686
5-chloro-2-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)aniline
CID 62376051
2-(chloromethyl)-6-fluoro-1-(1-pyridin-2-ylethyl)benzimidazole
CID 62378078
(6-fluoro-1-methylbenzimidazol-2-yl)methanamine
CID 62377229

Frequently Asked Questions

What is the IUPAC name of 2-[(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)methyl]aniline?
The IUPAC name of 2-[(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)methyl]aniline (CID 62535351) is 2-[(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)methyl]aniline.
What is the SMILES notation for 2-[(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)methyl]aniline?
The canonical SMILES for 2-[(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)methyl]aniline is CC(C)n1c(Cc2ccccc2N)nc2ccc(F)cc21.
What is the InChIKey of 2-[(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)methyl]aniline?
The InChIKey is GTWDFYVTAMWVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3/c1-11(2)21-16-10-13(18)7-8-15(16)20-17(21)9-12-5-3-4-6-14(12)19/h3-8,10-11H,9,19H2,1-2H3.
What are the key properties of 2-[(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)methyl]aniline?
2-[(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)methyl]aniline has a molecular weight of 283.35 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)methyl]aniline is sourced from PubChem (CID 62535351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).