5-(6-chloro-1-ethylbenzimidazol-2-yl)-2,4-difluoroaniline

C15H12ClF2N3 — CID 115472738

IUPAC5-(6-chloro-1-ethylbenzimidazol-2-yl)-2,4-difluoroaniline
SMILESCCn1c(-c2cc(N)c(F)cc2F)nc2ccc(Cl)cc21
InChIInChI=1S/C15H12ClF2N3/c1-2-21-14-5-8(16)3-4-13(14)20-15(21)9-6-12(19)11(18)7-10(9)17/h3-7H,2,19H2,1H3
InChIKeyXXBBWNULIOGXRT-UHFFFAOYSA-N
MW307.73 g/mol
LogP4.24
Rot. Bonds2

About 5-(6-chloro-1-ethylbenzimidazol-2-yl)-2,4-difluoroaniline

5-(6-chloro-1-ethylbenzimidazol-2-yl)-2,4-difluoroaniline (PubChem CID 115472738) has the molecular formula C15H12ClF2N3 and a molecular weight of 307.73 g/mol. Its IUPAC name is 5-(6-chloro-1-ethylbenzimidazol-2-yl)-2,4-difluoroaniline.

Molecular Properties

Compound Name5-(6-chloro-1-ethylbenzimidazol-2-yl)-2,4-difluoroaniline
PubChem CID115472738
Molecular FormulaC15H12ClF2N3
Molecular Weight307.73 g/mol
Exact Mass307.07
IUPAC Name5-(6-chloro-1-ethylbenzimidazol-2-yl)-2,4-difluoroaniline
SMILESCCn1c(-c2cc(N)c(F)cc2F)nc2ccc(Cl)cc21
InChIInChI=1S/C15H12ClF2N3/c1-2-21-14-5-8(16)3-4-13(14)20-15(21)9-6-12(19)11(18)7-10(9)17/h3-7H,2,19H2,1H3
InChIKeyXXBBWNULIOGXRT-UHFFFAOYSA-N
XLogP4.24
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.73
LogP ≤ 54.24
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-chloro-1-ethylbenzimidazol-2-yl)phenol
CID 136968059
[4-(6-chloro-1-ethylbenzimidazol-2-yl)phenyl]methanamine
CID 115472637
4-(1-ethyl-6-fluorobenzimidazol-2-yl)-2-fluoroaniline
CID 63187874
5-chloro-2-(1-ethyl-5-methylbenzimidazol-2-yl)aniline
CID 60785305
3-chloro-4-(5-chloro-1-ethylbenzimidazol-2-yl)aniline
CID 61399151
4-chloro-3-(5-chloro-1-ethylbenzimidazol-2-yl)aniline
CID 60861711
2-(5-chloro-2-fluorophenyl)-1-ethylbenzimidazole-5-carbonitrile
CID 65040586
3-(5-bromo-1-ethylbenzimidazol-2-yl)-4-fluoroaniline
CID 60837523
4-(1-ethylbenzimidazol-2-yl)-2-fluoroaniline
CID 63187870
2-(1-ethyl-5-fluorobenzimidazol-2-yl)-5-fluoroaniline
CID 60784226
1-(6-chloro-1-ethylbenzimidazol-2-yl)-N-methylmethanamine
CID 46310511
6-chloro-2-[(4-chlorophenyl)methyl]-1-ethylbenzimidazole
CID 46310462

Frequently Asked Questions

What is the IUPAC name of 5-(6-chloro-1-ethylbenzimidazol-2-yl)-2,4-difluoroaniline?
The IUPAC name of 5-(6-chloro-1-ethylbenzimidazol-2-yl)-2,4-difluoroaniline (CID 115472738) is 5-(6-chloro-1-ethylbenzimidazol-2-yl)-2,4-difluoroaniline.
What is the SMILES notation for 5-(6-chloro-1-ethylbenzimidazol-2-yl)-2,4-difluoroaniline?
The canonical SMILES for 5-(6-chloro-1-ethylbenzimidazol-2-yl)-2,4-difluoroaniline is CCn1c(-c2cc(N)c(F)cc2F)nc2ccc(Cl)cc21.
What is the InChIKey of 5-(6-chloro-1-ethylbenzimidazol-2-yl)-2,4-difluoroaniline?
The InChIKey is XXBBWNULIOGXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF2N3/c1-2-21-14-5-8(16)3-4-13(14)20-15(21)9-6-12(19)11(18)7-10(9)17/h3-7H,2,19H2,1H3.
What are the key properties of 5-(6-chloro-1-ethylbenzimidazol-2-yl)-2,4-difluoroaniline?
5-(6-chloro-1-ethylbenzimidazol-2-yl)-2,4-difluoroaniline has a molecular weight of 307.73 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-chloro-1-ethylbenzimidazol-2-yl)-2,4-difluoroaniline is sourced from PubChem (CID 115472738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).