N'-[1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)-5,6-dimethylbenzimidazol-2-yl]ethane-1,2-diamine

C24H23Cl2FN4 — CID 149055408

IUPACN'-[1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)-5,6-dimethylbenzimidazol-2-yl]ethane-1,2-diamine
SMILESCc1cc2c(nc(NCCN)n2Cc2ccc(F)c(Cl)c2)c(-c2ccccc2Cl)c1C
InChIInChI=1S/C24H23Cl2FN4/c1-14-11-21-23(22(15(14)2)17-5-3-4-6-18(17)25)30-24(29-10-9-28)31(21)13-16-7-8-20(27)19(26)12-16/h3-8,11-12H,9-10,13,28H2,1-2H3,(H,29,30)
InChIKeyQKQFHEKPVIEBQB-UHFFFAOYSA-N
MW457.38 g/mol
LogP6.18
Rot. Bonds6

About N'-[1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)-5,6-dimethylbenzimidazol-2-yl]ethane-1,2-diamine

N'-[1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)-5,6-dimethylbenzimidazol-2-yl]ethane-1,2-diamine (PubChem CID 149055408) has the molecular formula C24H23Cl2FN4 and a molecular weight of 457.38 g/mol. Its IUPAC name is N'-[1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)-5,6-dimethylbenzimidazol-2-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)-5,6-dimethylbenzimidazol-2-yl]ethane-1,2-diamine
PubChem CID149055408
Molecular FormulaC24H23Cl2FN4
Molecular Weight457.38 g/mol
Exact Mass456.13
IUPAC NameN'-[1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)-5,6-dimethylbenzimidazol-2-yl]ethane-1,2-diamine
SMILESCc1cc2c(nc(NCCN)n2Cc2ccc(F)c(Cl)c2)c(-c2ccccc2Cl)c1C
InChIInChI=1S/C24H23Cl2FN4/c1-14-11-21-23(22(15(14)2)17-5-3-4-6-18(17)25)30-24(29-10-9-28)31(21)13-16-7-8-20(27)19(26)12-16/h3-8,11-12H,9-10,13,28H2,1-2H3,(H,29,30)
InChIKeyQKQFHEKPVIEBQB-UHFFFAOYSA-N
XLogP6.18
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.38
LogP ≤ 56.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N'-[1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)-5,6-dimethylbenzimidazol-2-yl]ethane-1,2-diamine 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

7-(aminomethyl)-6-(2-chlorophenyl)-1-methyl-1H-benzimidazole-5-carbonitrile
CID 11572962
1-(3,4-dichlorobenzyl)-5,6-dimethyl-1H-benzimidazole
CID 2949939
1-(4-chlorobenzyl)-5,6-dimethyl-1H-benzimidazole
CID 683409
1-(3,4-Dichlorobenzyl)-7-Phenyl-1h-Benzimidazol-2-Amine
CID 42627579
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
4-(2-Chlorophenyl)-1,4-dihydro[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 2998780
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
3,4-dimethyl-N-[(1-methylbenzimidazol-2-yl)methyl]aniline
CID 827882

Frequently Asked Questions

What is the IUPAC name of N'-[1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)-5,6-dimethylbenzimidazol-2-yl]ethane-1,2-diamine?
The IUPAC name of N'-[1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)-5,6-dimethylbenzimidazol-2-yl]ethane-1,2-diamine (CID 149055408) is N'-[1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)-5,6-dimethylbenzimidazol-2-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)-5,6-dimethylbenzimidazol-2-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)-5,6-dimethylbenzimidazol-2-yl]ethane-1,2-diamine is Cc1cc2c(nc(NCCN)n2Cc2ccc(F)c(Cl)c2)c(-c2ccccc2Cl)c1C.
What is the InChIKey of N'-[1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)-5,6-dimethylbenzimidazol-2-yl]ethane-1,2-diamine?
The InChIKey is QKQFHEKPVIEBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl2FN4/c1-14-11-21-23(22(15(14)2)17-5-3-4-6-18(17)25)30-24(29-10-9-28)31(21)13-16-7-8-20(27)19(26)12-16/h3-8,11-12H,9-10,13,28H2,1-2H3,(H,29,30).
What are the key properties of N'-[1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)-5,6-dimethylbenzimidazol-2-yl]ethane-1,2-diamine?
N'-[1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)-5,6-dimethylbenzimidazol-2-yl]ethane-1,2-diamine has a molecular weight of 457.38 g/mol, XLogP of 6.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)-5,6-dimethylbenzimidazol-2-yl]ethane-1,2-diamine is sourced from PubChem (CID 149055408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).