[2-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-1-[1-[(1-methylpiperidin-4-yl)methyl]benzimidazol-2-yl]ethyl]azanide

C23H26ClF3N5- — CID 154490405

IUPAC[2-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-1-[1-[(1-methylpiperidin-4-yl)methyl]benzimidazol-2-yl]ethyl]azanide
SMILESCN1CCC(Cn2c(C([NH-])Cc3cc(Cl)c(N)c(C(F)(F)F)c3)nc3ccccc32)CC1
InChIInChI=1S/C23H26ClF3N5/c1-31-8-6-14(7-9-31)13-32-20-5-3-2-4-19(20)30-22(32)18(28)12-15-10-16(23(25,26)27)21(29)17(24)11-15/h2-5,10-11,14,18,28H,6-9,12-13,29H2,1H3/q-1
InChIKeyWQEJCZBGFFROHE-UHFFFAOYSA-N
MW464.94 g/mol
LogP5.97
Rot. Bonds5

About [2-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-1-[1-[(1-methylpiperidin-4-yl)methyl]benzimidazol-2-yl]ethyl]azanide

[2-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-1-[1-[(1-methylpiperidin-4-yl)methyl]benzimidazol-2-yl]ethyl]azanide (PubChem CID 154490405) has the molecular formula C23H26ClF3N5- and a molecular weight of 464.94 g/mol. Its IUPAC name is [2-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-1-[1-[(1-methylpiperidin-4-yl)methyl]benzimidazol-2-yl]ethyl]azanide.

Molecular Properties

Compound Name[2-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-1-[1-[(1-methylpiperidin-4-yl)methyl]benzimidazol-2-yl]ethyl]azanide
PubChem CID154490405
Molecular FormulaC23H26ClF3N5-
Molecular Weight464.94 g/mol
Exact Mass464.18
IUPAC Name[2-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-1-[1-[(1-methylpiperidin-4-yl)methyl]benzimidazol-2-yl]ethyl]azanide
SMILESCN1CCC(Cn2c(C([NH-])Cc3cc(Cl)c(N)c(C(F)(F)F)c3)nc3ccccc32)CC1
InChIInChI=1S/C23H26ClF3N5/c1-31-8-6-14(7-9-31)13-32-20-5-3-2-4-19(20)30-22(32)18(28)12-15-10-16(23(25,26)27)21(29)17(24)11-15/h2-5,10-11,14,18,28H,6-9,12-13,29H2,1H3/q-1
InChIKeyWQEJCZBGFFROHE-UHFFFAOYSA-N
XLogP5.97
TPSA70.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.94
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-4-(1,2,3,6-tetrahydropyridin-4-yl)-1H-benzimidazole
CID 134814238
6-chloro-4-(2-chlorophenyl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazole
CID 134814239
6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazole
CID 134814241
5-Chloro-1-(phenylmethyl)-2-piperazin-1-ylbenzimidazole
CID 10806082
6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazole
CID 134814240
1-[(3-chloro-4-fluorophenyl)methyl]-5,6-dimethyl-2-(piperazin-1-yl)-1H-benzimidazole
CID 134814242
1-[(3-chloro-4-fluorophenyl)methyl]-5,6-dimethyl-1H-benzimidazol-2-amine
CID 134814243
2-(3-Chlorophenyl)-1-[(3-chlorophenyl)methyl]benzimidazole
CID 15552561
2-(3-Chloro-4-fluorophenyl)-1-[1-(1-methylcyclooctyl)piperidin-4-yl]-1H-benzimidazole
CID 25208245
2,4-dimethyl-N-[(1-methyl-1H-benzimidazol-2-yl)methyl]aniline
CID 3336510
4-(3-Chlorophenyl)-1,4-dihydro[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 4860084
[5-(2-Chlorophenyl)-2-ethyl-3-methylbenzimidazol-4-yl]methanamine
CID 11529539

Frequently Asked Questions

What is the IUPAC name of [2-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-1-[1-[(1-methylpiperidin-4-yl)methyl]benzimidazol-2-yl]ethyl]azanide?
The IUPAC name of [2-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-1-[1-[(1-methylpiperidin-4-yl)methyl]benzimidazol-2-yl]ethyl]azanide (CID 154490405) is [2-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-1-[1-[(1-methylpiperidin-4-yl)methyl]benzimidazol-2-yl]ethyl]azanide.
What is the SMILES notation for [2-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-1-[1-[(1-methylpiperidin-4-yl)methyl]benzimidazol-2-yl]ethyl]azanide?
The canonical SMILES for [2-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-1-[1-[(1-methylpiperidin-4-yl)methyl]benzimidazol-2-yl]ethyl]azanide is CN1CCC(Cn2c(C([NH-])Cc3cc(Cl)c(N)c(C(F)(F)F)c3)nc3ccccc32)CC1.
What is the InChIKey of [2-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-1-[1-[(1-methylpiperidin-4-yl)methyl]benzimidazol-2-yl]ethyl]azanide?
The InChIKey is WQEJCZBGFFROHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClF3N5/c1-31-8-6-14(7-9-31)13-32-20-5-3-2-4-19(20)30-22(32)18(28)12-15-10-16(23(25,26)27)21(29)17(24)11-15/h2-5,10-11,14,18,28H,6-9,12-13,29H2,1H3/q-1.
What are the key properties of [2-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-1-[1-[(1-methylpiperidin-4-yl)methyl]benzimidazol-2-yl]ethyl]azanide?
[2-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-1-[1-[(1-methylpiperidin-4-yl)methyl]benzimidazol-2-yl]ethyl]azanide has a molecular weight of 464.94 g/mol, XLogP of 5.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-1-[1-[(1-methylpiperidin-4-yl)methyl]benzimidazol-2-yl]ethyl]azanide is sourced from PubChem (CID 154490405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).