N-(4-chlorophenyl)-4-(6-fluoro-1-propylbenzimidazol-2-yl)aniline

C22H19ClFN3 — CID 68721844

IUPACN-(4-chlorophenyl)-4-(6-fluoro-1-propylbenzimidazol-2-yl)aniline
SMILESCCCn1c(-c2ccc(Nc3ccc(Cl)cc3)cc2)nc2ccc(F)cc21
InChIInChI=1S/C22H19ClFN3/c1-2-13-27-21-14-17(24)7-12-20(21)26-22(27)15-3-8-18(9-4-15)25-19-10-5-16(23)6-11-19/h3-12,14,25H,2,13H2,1H3
InChIKeyNPKRCTPDSLHHMB-UHFFFAOYSA-N
MW379.87 g/mol
LogP6.65
Rot. Bonds5

About N-(4-chlorophenyl)-4-(6-fluoro-1-propylbenzimidazol-2-yl)aniline

N-(4-chlorophenyl)-4-(6-fluoro-1-propylbenzimidazol-2-yl)aniline (PubChem CID 68721844) has the molecular formula C22H19ClFN3 and a molecular weight of 379.87 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-(6-fluoro-1-propylbenzimidazol-2-yl)aniline.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-(6-fluoro-1-propylbenzimidazol-2-yl)aniline
PubChem CID68721844
Molecular FormulaC22H19ClFN3
Molecular Weight379.87 g/mol
Exact Mass379.13
IUPAC NameN-(4-chlorophenyl)-4-(6-fluoro-1-propylbenzimidazol-2-yl)aniline
SMILESCCCn1c(-c2ccc(Nc3ccc(Cl)cc3)cc2)nc2ccc(F)cc21
InChIInChI=1S/C22H19ClFN3/c1-2-13-27-21-14-17(24)7-12-20(21)26-22(27)15-3-8-18(9-4-15)25-19-10-5-16(23)6-11-19/h3-12,14,25H,2,13H2,1H3
InChIKeyNPKRCTPDSLHHMB-UHFFFAOYSA-N
XLogP6.65
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.87
LogP ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-(6-fluoro-1-propylbenzimidazol-2-yl)aniline?
The IUPAC name of N-(4-chlorophenyl)-4-(6-fluoro-1-propylbenzimidazol-2-yl)aniline (CID 68721844) is N-(4-chlorophenyl)-4-(6-fluoro-1-propylbenzimidazol-2-yl)aniline.
What is the SMILES notation for N-(4-chlorophenyl)-4-(6-fluoro-1-propylbenzimidazol-2-yl)aniline?
The canonical SMILES for N-(4-chlorophenyl)-4-(6-fluoro-1-propylbenzimidazol-2-yl)aniline is CCCn1c(-c2ccc(Nc3ccc(Cl)cc3)cc2)nc2ccc(F)cc21.
What is the InChIKey of N-(4-chlorophenyl)-4-(6-fluoro-1-propylbenzimidazol-2-yl)aniline?
The InChIKey is NPKRCTPDSLHHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClFN3/c1-2-13-27-21-14-17(24)7-12-20(21)26-22(27)15-3-8-18(9-4-15)25-19-10-5-16(23)6-11-19/h3-12,14,25H,2,13H2,1H3.
What are the key properties of N-(4-chlorophenyl)-4-(6-fluoro-1-propylbenzimidazol-2-yl)aniline?
N-(4-chlorophenyl)-4-(6-fluoro-1-propylbenzimidazol-2-yl)aniline has a molecular weight of 379.87 g/mol, XLogP of 6.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-(6-fluoro-1-propylbenzimidazol-2-yl)aniline is sourced from PubChem (CID 68721844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).