5-chloro-2-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)aniline

C16H15ClFN3 — CID 62376051

IUPAC5-chloro-2-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)aniline
SMILESCC(C)n1c(-c2ccc(Cl)cc2N)nc2ccc(F)cc21
InChIInChI=1S/C16H15ClFN3/c1-9(2)21-15-8-11(18)4-6-14(15)20-16(21)12-5-3-10(17)7-13(12)19/h3-9H,19H2,1-2H3
InChIKeyKRDKGDDPBZHVKT-UHFFFAOYSA-N
MW303.77 g/mol
LogP4.66
Rot. Bonds2

About 5-chloro-2-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)aniline

5-chloro-2-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)aniline (PubChem CID 62376051) has the molecular formula C16H15ClFN3 and a molecular weight of 303.77 g/mol. Its IUPAC name is 5-chloro-2-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)aniline.

Molecular Properties

Compound Name5-chloro-2-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)aniline
PubChem CID62376051
Molecular FormulaC16H15ClFN3
Molecular Weight303.77 g/mol
Exact Mass303.09
IUPAC Name5-chloro-2-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)aniline
SMILESCC(C)n1c(-c2ccc(Cl)cc2N)nc2ccc(F)cc21
InChIInChI=1S/C16H15ClFN3/c1-9(2)21-15-8-11(18)4-6-14(15)20-16(21)12-5-3-10(17)7-13(12)19/h3-9H,19H2,1-2H3
InChIKeyKRDKGDDPBZHVKT-UHFFFAOYSA-N
XLogP4.66
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.77
LogP ≤ 54.66
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

4-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)-3-fluoroaniline
CID 107793667
3-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)-2-methylaniline
CID 62946745
4-chloro-3-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenol
CID 106502342
2-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)-3-methylaniline
CID 115472973
3-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)-5-ethylthiophen-2-amine
CID 115473018
5-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)benzene-1,3-diol
CID 107704544
5-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)pyridin-3-amine
CID 115473071
1-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 62377080
5-chloro-2-(5-chloro-1-methylbenzimidazol-2-yl)aniline
CID 60785031
2-fluoro-4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)aniline
CID 63188091
2-[3-(chloromethyl)phenyl]-6-fluoro-1-propan-2-ylbenzimidazole
CID 63539997
2-amino-6-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenol
CID 136712554

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)aniline?
The IUPAC name of 5-chloro-2-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)aniline (CID 62376051) is 5-chloro-2-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)aniline.
What is the SMILES notation for 5-chloro-2-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)aniline?
The canonical SMILES for 5-chloro-2-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)aniline is CC(C)n1c(-c2ccc(Cl)cc2N)nc2ccc(F)cc21.
What is the InChIKey of 5-chloro-2-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)aniline?
The InChIKey is KRDKGDDPBZHVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFN3/c1-9(2)21-15-8-11(18)4-6-14(15)20-16(21)12-5-3-10(17)7-13(12)19/h3-9H,19H2,1-2H3.
What are the key properties of 5-chloro-2-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)aniline?
5-chloro-2-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)aniline has a molecular weight of 303.77 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)aniline is sourced from PubChem (CID 62376051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).