1-(6-chloropyrazin-2-yl)-2,4-dimethylbenzimidazole;2,6-dichloropyrazine;2,4-dimethyl-1H-benzimidazole;6-(2,4-dimethylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;4-methylaniline;3-methylbenzene-1,2-diamine;pentane

C65H70Cl3F3N16 — CID 161119765

IUPAC1-(6-chloropyrazin-2-yl)-2,4-dimethylbenzimidazole;2,6-dichloropyrazine;2,4-dimethyl-1H-benzimidazole;6-(2,4-dimethylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;4-methylaniline;3-methylbenzene-1,2-diamine;pentane
SMILESCCCCC.Cc1ccc(N)cc1.Cc1cccc(N)c1N.Cc1cccc2c1nc(C)n2-c1cncc(Cl)n1.Cc1cccc2c1nc(C)n2-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2c(C)cccc2[nH]1.Clc1cncc(Cl)n1
InChIInChI=1S/C20H16F3N5.C13H11ClN4.C9H10N2.C7H10N2.C7H9N.C5H12.C4H2Cl2N2/c1-12-4-3-5-16-19(12)25-13(2)28(16)18-11-24-10-17(27-18)26-15-8-6-14(7-9-15)20(21,22)23;1-8-4-3-5-10-13(8)16-9(2)18(10)12-7-15-6-11(14)17-12;1-6-4-3-5-8-9(6)11-7(2)10-8;1-5-3-2-4-6(8)7(5)9;1-6-2-4-7(8)5-3-6;1-3-5-4-2;5-3-1-7-2-4(6)8-3/h3-11H,1-2H3,(H,26,27);3-7H,1-2H3;3-5H,1-2H3,(H,10,11);2-4H,8-9H2,1H3;2-5H,8H2,1H3;3-5H2,1-2H3;1-2H
InChIKeyUKUIDYYUCRCASU-UHFFFAOYSA-N
MW1238.74 g/mol
LogP17.18
Rot. Bonds6

About 1-(6-chloropyrazin-2-yl)-2,4-dimethylbenzimidazole;2,6-dichloropyrazine;2,4-dimethyl-1H-benzimidazole;6-(2,4-dimethylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;4-methylaniline;3-methylbenzene-1,2-diamine;pentane

1-(6-chloropyrazin-2-yl)-2,4-dimethylbenzimidazole;2,6-dichloropyrazine;2,4-dimethyl-1H-benzimidazole;6-(2,4-dimethylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;4-methylaniline;3-methylbenzene-1,2-diamine;pentane (PubChem CID 161119765) has the molecular formula C65H70Cl3F3N16 and a molecular weight of 1238.74 g/mol. Its IUPAC name is 1-(6-chloropyrazin-2-yl)-2,4-dimethylbenzimidazole;2,6-dichloropyrazine;2,4-dimethyl-1H-benzimidazole;6-(2,4-dimethylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;4-methylaniline;3-methylbenzene-1,2-diamine;pentane.

Molecular Properties

Compound Name1-(6-chloropyrazin-2-yl)-2,4-dimethylbenzimidazole;2,6-dichloropyrazine;2,4-dimethyl-1H-benzimidazole;6-(2,4-dimethylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;4-methylaniline;3-methylbenzene-1,2-diamine;pentane
PubChem CID161119765
Molecular FormulaC65H70Cl3F3N16
Molecular Weight1238.74 g/mol
Exact Mass1236.50
IUPAC Name1-(6-chloropyrazin-2-yl)-2,4-dimethylbenzimidazole;2,6-dichloropyrazine;2,4-dimethyl-1H-benzimidazole;6-(2,4-dimethylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;4-methylaniline;3-methylbenzene-1,2-diamine;pentane
SMILESCCCCC.Cc1ccc(N)cc1.Cc1cccc(N)c1N.Cc1cccc2c1nc(C)n2-c1cncc(Cl)n1.Cc1cccc2c1nc(C)n2-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2c(C)cccc2[nH]1.Clc1cncc(Cl)n1
InChIInChI=1S/C20H16F3N5.C13H11ClN4.C9H10N2.C7H10N2.C7H9N.C5H12.C4H2Cl2N2/c1-12-4-3-5-16-19(12)25-13(2)28(16)18-11-24-10-17(27-18)26-15-8-6-14(7-9-15)20(21,22)23;1-8-4-3-5-10-13(8)16-9(2)18(10)12-7-15-6-11(14)17-12;1-6-4-3-5-8-9(6)11-7(2)10-8;1-5-3-2-4-6(8)7(5)9;1-6-2-4-7(8)5-3-6;1-3-5-4-2;5-3-1-7-2-4(6)8-3/h3-11H,1-2H3,(H,26,27);3-7H,1-2H3;3-5H,1-2H3,(H,10,11);2-4H,8-9H2,1H3;2-5H,8H2,1H3;3-5H2,1-2H3;1-2H
InChIKeyUKUIDYYUCRCASU-UHFFFAOYSA-N
XLogP17.18
TPSA231.75 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds6
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001238.74
LogP ≤ 517.18
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-(6-chloropyrazin-2-yl)-2,4-dimethylbenzimidazole;2,6-dichloropyrazine;2,4-dimethyl-1H-benzimidazole;6-(2,4-dimethylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;4-methylaniline;3-methylbenzene-1,2-diamine;pentane 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

4-pyrazin-2-yl-6-(trifluoromethyl)-2-(4-(3-(trifluoromethyl)-pyridin-2-yl)piperazin-1-yl)-1H-benzo[d]imidazole
CID 10255129
(E)-4-styryl-6-(trifluoromethyl)-2-(4-(3-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)-1H-benzo[d]imidazole
CID 11504521
4-pyridin-4-yl-6-(trifluoromethyl)-2-(4-(3-(trifluoromethyl)-pyridin-2-yl)piperazin-1-yl)-1H-benzo[d]imidazole
CID 11612897
2-(4-(3-methylpyridin-2-yl)piperazin-1-yl)-6-(trifluoromethyl)-1H-benzo[d]imidazole
CID 11627036
2-[4-(3-Chloropyridin-2-yl)piperazin-1-yl]-6-trifluoromethyl-1H-benzoimidazole
CID 11710679
2-(3H-benzimidazol-5-yl)-6-(6-pyridin-2-yl-1H-benzimidazol-2-yl)-1H-benzimidazole
CID 11743266
5-chloro-6-[(3R)-4-[4-(4-fluorophenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-3-methylpiperazin-1-yl]pyridin-3-amine
CID 11634799
2-[(2R)-4-(3-chloro-5-ethenyl-2-pyridinyl)-2-methylpiperazin-1-yl]-6-(trifluoromethyl)-4-(3,4,5-trifluorophenyl)-1H-benzimidazole
CID 44412289
1-[[4-[2-(5-chloro-1H-imidazol-2-yl)phenyl]phenyl]methyl]-4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazole
CID 44563175
6-[(4-methylpiperazin-1-yl)methyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazol-2-amine
CID 118709832
N-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-6-(1-methyl-4-piperidyl)-1H-benzimidazol-2-amine
CID 118709847
1-[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
CID 137634281

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloropyrazin-2-yl)-2,4-dimethylbenzimidazole;2,6-dichloropyrazine;2,4-dimethyl-1H-benzimidazole;6-(2,4-dimethylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;4-methylaniline;3-methylbenzene-1,2-diamine;pentane?
The IUPAC name of 1-(6-chloropyrazin-2-yl)-2,4-dimethylbenzimidazole;2,6-dichloropyrazine;2,4-dimethyl-1H-benzimidazole;6-(2,4-dimethylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;4-methylaniline;3-methylbenzene-1,2-diamine;pentane (CID 161119765) is 1-(6-chloropyrazin-2-yl)-2,4-dimethylbenzimidazole;2,6-dichloropyrazine;2,4-dimethyl-1H-benzimidazole;6-(2,4-dimethylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;4-methylaniline;3-methylbenzene-1,2-diamine;pentane.
What is the SMILES notation for 1-(6-chloropyrazin-2-yl)-2,4-dimethylbenzimidazole;2,6-dichloropyrazine;2,4-dimethyl-1H-benzimidazole;6-(2,4-dimethylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;4-methylaniline;3-methylbenzene-1,2-diamine;pentane?
The canonical SMILES for 1-(6-chloropyrazin-2-yl)-2,4-dimethylbenzimidazole;2,6-dichloropyrazine;2,4-dimethyl-1H-benzimidazole;6-(2,4-dimethylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;4-methylaniline;3-methylbenzene-1,2-diamine;pentane is CCCCC.Cc1ccc(N)cc1.Cc1cccc(N)c1N.Cc1cccc2c1nc(C)n2-c1cncc(Cl)n1.Cc1cccc2c1nc(C)n2-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2c(C)cccc2[nH]1.Clc1cncc(Cl)n1.
What is the InChIKey of 1-(6-chloropyrazin-2-yl)-2,4-dimethylbenzimidazole;2,6-dichloropyrazine;2,4-dimethyl-1H-benzimidazole;6-(2,4-dimethylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;4-methylaniline;3-methylbenzene-1,2-diamine;pentane?
The InChIKey is UKUIDYYUCRCASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N5.C13H11ClN4.C9H10N2.C7H10N2.C7H9N.C5H12.C4H2Cl2N2/c1-12-4-3-5-16-19(12)25-13(2)28(16)18-11-24-10-17(27-18)26-15-8-6-14(7-9-15)20(21,22)23;1-8-4-3-5-10-13(8)16-9(2)18(10)12-7-15-6-11(14)17-12;1-6-4-3-5-8-9(6)11-7(2)10-8;1-5-3-2-4-6(8)7(5)9;1-6-2-4-7(8)5-3-6;1-3-5-4-2;5-3-1-7-2-4(6)8-3/h3-11H,1-2H3,(H,26,27);3-7H,1-2H3;3-5H,1-2H3,(H,10,11);2-4H,8-9H2,1H3;2-5H,8H2,1H3;3-5H2,1-2H3;1-2H.
What are the key properties of 1-(6-chloropyrazin-2-yl)-2,4-dimethylbenzimidazole;2,6-dichloropyrazine;2,4-dimethyl-1H-benzimidazole;6-(2,4-dimethylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;4-methylaniline;3-methylbenzene-1,2-diamine;pentane?
1-(6-chloropyrazin-2-yl)-2,4-dimethylbenzimidazole;2,6-dichloropyrazine;2,4-dimethyl-1H-benzimidazole;6-(2,4-dimethylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;4-methylaniline;3-methylbenzene-1,2-diamine;pentane has a molecular weight of 1238.74 g/mol, XLogP of 17.18, 6 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloropyrazin-2-yl)-2,4-dimethylbenzimidazole;2,6-dichloropyrazine;2,4-dimethyl-1H-benzimidazole;6-(2,4-dimethylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;4-methylaniline;3-methylbenzene-1,2-diamine;pentane is sourced from PubChem (CID 161119765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).