4-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)-3-fluoroaniline

C16H15ClFN3 — CID 107793667

IUPAC4-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)-3-fluoroaniline
SMILESCC(C)n1c(-c2ccc(N)cc2F)nc2ccc(Cl)cc21
InChIInChI=1S/C16H15ClFN3/c1-9(2)21-15-7-10(17)3-6-14(15)20-16(21)12-5-4-11(19)8-13(12)18/h3-9H,19H2,1-2H3
InChIKeyUPFJSGMOHMTZFN-UHFFFAOYSA-N
MW303.77 g/mol
LogP4.66
Rot. Bonds2

About 4-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)-3-fluoroaniline

4-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)-3-fluoroaniline (PubChem CID 107793667) has the molecular formula C16H15ClFN3 and a molecular weight of 303.77 g/mol. Its IUPAC name is 4-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)-3-fluoroaniline.

Molecular Properties

Compound Name4-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)-3-fluoroaniline
PubChem CID107793667
Molecular FormulaC16H15ClFN3
Molecular Weight303.77 g/mol
Exact Mass303.09
IUPAC Name4-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)-3-fluoroaniline
SMILESCC(C)n1c(-c2ccc(N)cc2F)nc2ccc(Cl)cc21
InChIInChI=1S/C16H15ClFN3/c1-9(2)21-15-7-10(17)3-6-14(15)20-16(21)12-5-4-11(19)8-13(12)18/h3-9H,19H2,1-2H3
InChIKeyUPFJSGMOHMTZFN-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

5-chloro-2-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)aniline
CID 62376051
5-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)pyridin-3-amine
CID 115473071
3-fluoro-4-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)aniline
CID 107793649
3-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)-5-ethylthiophen-2-amine
CID 115473018
2-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)-3-methylaniline
CID 115472973
3-fluoro-4-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)aniline
CID 114002407
4-[(6-chloro-1-propan-2-ylbenzimidazol-2-yl)methyl]aniline
CID 115473043
3-fluoro-4-(1-propan-2-ylbenzimidazol-2-yl)phenol
CID 136751548
1-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 46310660
(6-chloro-1-propan-2-ylbenzimidazol-2-yl)methanamine;dihydrochloride
CID 112758022
4-(6-chloro-1-methylbenzimidazol-2-yl)-3-fluorophenol
CID 136751620
5-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)pyridin-3-ol
CID 115473460

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)-3-fluoroaniline?
The IUPAC name of 4-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)-3-fluoroaniline (CID 107793667) is 4-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)-3-fluoroaniline.
What is the SMILES notation for 4-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)-3-fluoroaniline?
The canonical SMILES for 4-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)-3-fluoroaniline is CC(C)n1c(-c2ccc(N)cc2F)nc2ccc(Cl)cc21.
What is the InChIKey of 4-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)-3-fluoroaniline?
The InChIKey is UPFJSGMOHMTZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFN3/c1-9(2)21-15-7-10(17)3-6-14(15)20-16(21)12-5-4-11(19)8-13(12)18/h3-9H,19H2,1-2H3.
What are the key properties of 4-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)-3-fluoroaniline?
4-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)-3-fluoroaniline 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 4-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)-3-fluoroaniline is sourced from PubChem (CID 107793667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).