4-(7-chloro-1-methylbenzimidazol-2-yl)-3-fluoroaniline

C14H11ClFN3 — CID 107793614

IUPAC4-(7-chloro-1-methylbenzimidazol-2-yl)-3-fluoroaniline
SMILESCn1c(-c2ccc(N)cc2F)nc2cccc(Cl)c21
InChIInChI=1S/C14H11ClFN3/c1-19-13-10(15)3-2-4-12(13)18-14(19)9-6-5-8(17)7-11(9)16/h2-7H,17H2,1H3
InChIKeyWVSLGLBBFUAANU-UHFFFAOYSA-N
MW275.71 g/mol
LogP3.62
Rot. Bonds1

About 4-(7-chloro-1-methylbenzimidazol-2-yl)-3-fluoroaniline

4-(7-chloro-1-methylbenzimidazol-2-yl)-3-fluoroaniline (PubChem CID 107793614) has the molecular formula C14H11ClFN3 and a molecular weight of 275.71 g/mol. Its IUPAC name is 4-(7-chloro-1-methylbenzimidazol-2-yl)-3-fluoroaniline.

Molecular Properties

Compound Name4-(7-chloro-1-methylbenzimidazol-2-yl)-3-fluoroaniline
PubChem CID107793614
Molecular FormulaC14H11ClFN3
Molecular Weight275.71 g/mol
Exact Mass275.06
IUPAC Name4-(7-chloro-1-methylbenzimidazol-2-yl)-3-fluoroaniline
SMILESCn1c(-c2ccc(N)cc2F)nc2cccc(Cl)c21
InChIInChI=1S/C14H11ClFN3/c1-19-13-10(15)3-2-4-12(13)18-14(19)9-6-5-8(17)7-11(9)16/h2-7H,17H2,1H3
InChIKeyWVSLGLBBFUAANU-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

3-(7-chloro-1-methylbenzimidazol-2-yl)-4,5-dimethylaniline
CID 63020864
5-(7-chloro-1-methylbenzimidazol-2-yl)-2-fluoroaniline
CID 54924343
3-(1,7-dimethylbenzimidazol-2-yl)-4-fluoroaniline
CID 81456066
4-(7-chloro-1-methylbenzimidazol-2-yl)-1H-pyrazol-5-amine
CID 54920303
3-chloro-4-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)aniline
CID 61399197
2-(7-chloro-1-methylbenzimidazol-2-yl)pyridin-3-amine
CID 113447539
4-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)-3-fluoroaniline
CID 107793667
2-chloro-6-(6-chloro-1-methylbenzimidazol-2-yl)aniline
CID 107050019
3-fluoro-4-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)aniline
CID 107793649
4-(7-chloro-1-benzofuran-2-yl)-3-fluoroaniline
CID 114732001
3-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)aniline
CID 60788267
4-(7-fluoro-1-methylbenzimidazol-2-yl)-1H-pyrazol-5-amine
CID 112741020

Frequently Asked Questions

What is the IUPAC name of 4-(7-chloro-1-methylbenzimidazol-2-yl)-3-fluoroaniline?
The IUPAC name of 4-(7-chloro-1-methylbenzimidazol-2-yl)-3-fluoroaniline (CID 107793614) is 4-(7-chloro-1-methylbenzimidazol-2-yl)-3-fluoroaniline.
What is the SMILES notation for 4-(7-chloro-1-methylbenzimidazol-2-yl)-3-fluoroaniline?
The canonical SMILES for 4-(7-chloro-1-methylbenzimidazol-2-yl)-3-fluoroaniline is Cn1c(-c2ccc(N)cc2F)nc2cccc(Cl)c21.
What is the InChIKey of 4-(7-chloro-1-methylbenzimidazol-2-yl)-3-fluoroaniline?
The InChIKey is WVSLGLBBFUAANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFN3/c1-19-13-10(15)3-2-4-12(13)18-14(19)9-6-5-8(17)7-11(9)16/h2-7H,17H2,1H3.
What are the key properties of 4-(7-chloro-1-methylbenzimidazol-2-yl)-3-fluoroaniline?
4-(7-chloro-1-methylbenzimidazol-2-yl)-3-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 4-(7-chloro-1-methylbenzimidazol-2-yl)-3-fluoroaniline is sourced from PubChem (CID 107793614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).