(1S)-1-[6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperazin-1-ylbenzimidazol-4-yl]-2-phenylethanamine

C26H26Cl2FN5 — CID 153290677

IUPAC(1S)-1-[6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperazin-1-ylbenzimidazol-4-yl]-2-phenylethanamine
SMILESN[C@@H](Cc1ccccc1)c1cc(Cl)cc2c1nc(N1CCNCC1)n2Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C26H26Cl2FN5/c27-19-14-20(23(30)13-17-4-2-1-3-5-17)25-24(15-19)34(16-18-6-7-22(29)21(28)12-18)26(32-25)33-10-8-31-9-11-33/h1-7,12,14-15,23,31H,8-11,13,16,30H2/t23-/m0/s1
InChIKeyBGJXJXPBQNONAU-QHCPKHFHSA-N
MW498.43 g/mol
LogP5.18
Rot. Bonds6

About (1S)-1-[6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperazin-1-ylbenzimidazol-4-yl]-2-phenylethanamine

(1S)-1-[6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperazin-1-ylbenzimidazol-4-yl]-2-phenylethanamine (PubChem CID 153290677) has the molecular formula C26H26Cl2FN5 and a molecular weight of 498.43 g/mol. Its IUPAC name is (1S)-1-[6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperazin-1-ylbenzimidazol-4-yl]-2-phenylethanamine.

Molecular Properties

Compound Name(1S)-1-[6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperazin-1-ylbenzimidazol-4-yl]-2-phenylethanamine
PubChem CID153290677
Molecular FormulaC26H26Cl2FN5
Molecular Weight498.43 g/mol
Exact Mass497.15
IUPAC Name(1S)-1-[6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperazin-1-ylbenzimidazol-4-yl]-2-phenylethanamine
SMILESN[C@@H](Cc1ccccc1)c1cc(Cl)cc2c1nc(N1CCNCC1)n2Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C26H26Cl2FN5/c27-19-14-20(23(30)13-17-4-2-1-3-5-17)25-24(15-19)34(16-18-6-7-22(29)21(28)12-18)26(32-25)33-10-8-31-9-11-33/h1-7,12,14-15,23,31H,8-11,13,16,30H2/t23-/m0/s1
InChIKeyBGJXJXPBQNONAU-QHCPKHFHSA-N
XLogP5.18
TPSA59.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.43
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (1S)-1-[6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperazin-1-ylbenzimidazol-4-yl]-2-phenylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tecastemizole
CID 123618
1-(3,4-Dichlorobenzyl)-7-Phenyl-1h-Benzimidazol-2-Amine
CID 42627579
SOS1 activator 1
CID 134814234
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
1-Benzyl-5-fluoro-2-piperazin-1-ylbenzimidazole
CID 9839681
5-Chloro-1-(phenylmethyl)-2-piperazin-1-ylbenzimidazole
CID 10806082
2-(4-Chloro-2-fluorophenyl)-1-{3-[4-(3-acetylaminophenyl)piperidin-1-yl]propyl}-1h-benzimidazole
CID 25114286
6-chloro-4-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazole
CID 134814236
1-[(2S)-1-{6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazol-4-yl}pyrrolidin-2-yl]methanamine
CID 134814237
6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazole
CID 134814240

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperazin-1-ylbenzimidazol-4-yl]-2-phenylethanamine?
The IUPAC name of (1S)-1-[6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperazin-1-ylbenzimidazol-4-yl]-2-phenylethanamine (CID 153290677) is (1S)-1-[6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperazin-1-ylbenzimidazol-4-yl]-2-phenylethanamine.
What is the SMILES notation for (1S)-1-[6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperazin-1-ylbenzimidazol-4-yl]-2-phenylethanamine?
The canonical SMILES for (1S)-1-[6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperazin-1-ylbenzimidazol-4-yl]-2-phenylethanamine is N[C@@H](Cc1ccccc1)c1cc(Cl)cc2c1nc(N1CCNCC1)n2Cc1ccc(F)c(Cl)c1.
What is the InChIKey of (1S)-1-[6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperazin-1-ylbenzimidazol-4-yl]-2-phenylethanamine?
The InChIKey is BGJXJXPBQNONAU-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H26Cl2FN5/c27-19-14-20(23(30)13-17-4-2-1-3-5-17)25-24(15-19)34(16-18-6-7-22(29)21(28)12-18)26(32-25)33-10-8-31-9-11-33/h1-7,12,14-15,23,31H,8-11,13,16,30H2/t23-/m0/s1.
What are the key properties of (1S)-1-[6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperazin-1-ylbenzimidazol-4-yl]-2-phenylethanamine?
(1S)-1-[6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperazin-1-ylbenzimidazol-4-yl]-2-phenylethanamine has a molecular weight of 498.43 g/mol, XLogP of 5.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperazin-1-ylbenzimidazol-4-yl]-2-phenylethanamine is sourced from PubChem (CID 153290677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).