5-(7-chloro-1-methylbenzimidazol-2-yl)-2-fluoroaniline

C14H11ClFN3 — CID 54924343

IUPAC5-(7-chloro-1-methylbenzimidazol-2-yl)-2-fluoroaniline
SMILESCn1c(-c2ccc(F)c(N)c2)nc2cccc(Cl)c21
InChIInChI=1S/C14H11ClFN3/c1-19-13-9(15)3-2-4-12(13)18-14(19)8-5-6-10(16)11(17)7-8/h2-7H,17H2,1H3
InChIKeyJNAOCOGVPMOYMM-UHFFFAOYSA-N
MW275.71 g/mol
LogP3.62
Rot. Bonds1

About 5-(7-chloro-1-methylbenzimidazol-2-yl)-2-fluoroaniline

5-(7-chloro-1-methylbenzimidazol-2-yl)-2-fluoroaniline (PubChem CID 54924343) has the molecular formula C14H11ClFN3 and a molecular weight of 275.71 g/mol. Its IUPAC name is 5-(7-chloro-1-methylbenzimidazol-2-yl)-2-fluoroaniline.

Molecular Properties

Compound Name5-(7-chloro-1-methylbenzimidazol-2-yl)-2-fluoroaniline
PubChem CID54924343
Molecular FormulaC14H11ClFN3
Molecular Weight275.71 g/mol
Exact Mass275.06
IUPAC Name5-(7-chloro-1-methylbenzimidazol-2-yl)-2-fluoroaniline
SMILESCn1c(-c2ccc(F)c(N)c2)nc2cccc(Cl)c21
InChIInChI=1S/C14H11ClFN3/c1-19-13-9(15)3-2-4-12(13)18-14(19)8-5-6-10(16)11(17)7-8/h2-7H,17H2,1H3
InChIKeyJNAOCOGVPMOYMM-UHFFFAOYSA-N
XLogP3.62
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.71
LogP ≤ 53.62
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-(7-chloro-1-methylbenzimidazol-2-yl)-3-fluoroaniline
CID 107793614
2-(7-chloro-1-methylbenzimidazol-2-yl)pyridin-3-amine
CID 113447539
3-(7-chloro-1-methylbenzimidazol-2-yl)-4,5-dimethylaniline
CID 63020864
2-amino-4-(7-chloro-1-propylbenzimidazol-2-yl)phenol
CID 136872106
6-(7-chloro-1-methylbenzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline
CID 60784001
2-amino-5-(1,7-dimethylbenzimidazol-2-yl)phenol
CID 81456673
4-(7-chloro-1-methylbenzimidazol-2-yl)-1H-pyrazol-5-amine
CID 54920303
3-(1,7-dimethylbenzimidazol-2-yl)-4-fluoroaniline
CID 81456066
7-chloro-1-(5-chloro-2-fluorophenyl)benzimidazol-2-amine
CID 43662097
3-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)aniline
CID 60788267
5-chloro-2-(3-fluorophenyl)-1-methylbenzimidazole
CID 47272714
2-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-4-methylaniline
CID 60786773

Frequently Asked Questions

What is the IUPAC name of 5-(7-chloro-1-methylbenzimidazol-2-yl)-2-fluoroaniline?
The IUPAC name of 5-(7-chloro-1-methylbenzimidazol-2-yl)-2-fluoroaniline (CID 54924343) is 5-(7-chloro-1-methylbenzimidazol-2-yl)-2-fluoroaniline.
What is the SMILES notation for 5-(7-chloro-1-methylbenzimidazol-2-yl)-2-fluoroaniline?
The canonical SMILES for 5-(7-chloro-1-methylbenzimidazol-2-yl)-2-fluoroaniline is Cn1c(-c2ccc(F)c(N)c2)nc2cccc(Cl)c21.
What is the InChIKey of 5-(7-chloro-1-methylbenzimidazol-2-yl)-2-fluoroaniline?
The InChIKey is JNAOCOGVPMOYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFN3/c1-19-13-9(15)3-2-4-12(13)18-14(19)8-5-6-10(16)11(17)7-8/h2-7H,17H2,1H3.
What are the key properties of 5-(7-chloro-1-methylbenzimidazol-2-yl)-2-fluoroaniline?
5-(7-chloro-1-methylbenzimidazol-2-yl)-2-fluoroaniline has a molecular weight of 275.71 g/mol, XLogP of 3.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-chloro-1-methylbenzimidazol-2-yl)-2-fluoroaniline is sourced from PubChem (CID 54924343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).