N-benzyl-7-chloro-1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-amine;N-benzyl-1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-amine;7-chloro-N-decyl-1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-amine;7-chloro-N-(4-phenylphenyl)-1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-amine;N-decyl-1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-amine

C101H117Cl3F15N15 — CID 158666141

IUPACN-benzyl-7-chloro-1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-amine;N-benzyl-1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-amine;7-chloro-N-decyl-1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-amine;7-chloro-N-(4-phenylphenyl)-1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-amine;N-decyl-1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-amine
SMILESCC(C)n1c(NCc2ccccc2)nc2cc(C(F)(F)F)cc(Cl)c21.CC(C)n1c(NCc2ccccc2)nc2cc(C(F)(F)F)ccc21.CC(C)n1c(Nc2ccc(-c3ccccc3)cc2)nc2cc(C(F)(F)F)cc(Cl)c21.CCCCCCCCCCNc1nc2cc(C(F)(F)F)cc(Cl)c2n1C(C)C.CCCCCCCCCCNc1nc2cc(C(F)(F)F)ccc2n1C(C)C
InChIInChI=1S/C23H19ClF3N3.C21H31ClF3N3.C21H32F3N3.C18H17ClF3N3.C18H18F3N3/c1-14(2)30-21-19(24)12-17(23(25,26)27)13-20(21)29-22(30)28-18-10-8-16(9-11-18)15-6-4-3-5-7-15;1-4-5-6-7-8-9-10-11-12-26-20-27-18-14-16(21(23,24)25)13-17(22)19(18)28(20)15(2)3;1-4-5-6-7-8-9-10-11-14-25-20-26-18-15-17(21(22,23)24)12-13-19(18)27(20)16(2)3;1-11(2)25-16-14(19)8-13(18(20,21)22)9-15(16)24-17(25)23-10-12-6-4-3-5-7-12;1-12(2)24-16-9-8-14(18(19,20)21)10-15(16)23-17(24)22-11-13-6-4-3-5-7-13/h3-14H,1-2H3,(H,28,29);13-15H,4-12H2,1-3H3,(H,26,27);12-13,15-16H,4-11,14H2,1-3H3,(H,25,26);3-9,11H,10H2,1-2H3,(H,23,24);3-10,12H,11H2,1-2H3,(H,22,23)
InChIKeyIDJLIVKTKWOPBO-UHFFFAOYSA-N
MW1932.48 g/mol
LogP33.88
Rot. Bonds34

About N-benzyl-7-chloro-1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-amine;N-benzyl-1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-amine;7-chloro-N-decyl-1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-amine;7-chloro-N-(4-phenylphenyl)-1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-amine;N-decyl-1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-amine

N-benzyl-7-chloro-1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-amine;N-benzyl-1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-amine;7-chloro-N-decyl-1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-amine;7-chloro-N-(4-phenylphenyl)-1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-amine;N-decyl-1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-amine (PubChem CID 158666141) has the molecular formula C101H117Cl3F15N15 and a molecular weight of 1932.48 g/mol. Its IUPAC name is N-benzyl-7-chloro-1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-amine;N-benzyl-1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-amine;7-chloro-N-decyl-1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-amine;7-chloro-N-(4-phenylphenyl)-1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-amine;N-decyl-1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-amine.

Molecular Properties

Compound NameN-benzyl-7-chloro-1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-amine;N-benzyl-1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-amine;7-chloro-N-decyl-1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-amine;7-chloro-N-(4-phenylphenyl)-1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-amine;N-decyl-1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-amine
PubChem CID158666141
Molecular FormulaC101H117Cl3F15N15
Molecular Weight1932.48 g/mol
Exact Mass1929.84
IUPAC NameN-benzyl-7-chloro-1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-amine;N-benzyl-1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-amine;7-chloro-N-decyl-1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-amine;7-chloro-N-(4-phenylphenyl)-1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-amine;N-decyl-1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-amine
SMILESCC(C)n1c(NCc2ccccc2)nc2cc(C(F)(F)F)cc(Cl)c21.CC(C)n1c(NCc2ccccc2)nc2cc(C(F)(F)F)ccc21.CC(C)n1c(Nc2ccc(-c3ccccc3)cc2)nc2cc(C(F)(F)F)cc(Cl)c21.CCCCCCCCCCNc1nc2cc(C(F)(F)F)cc(Cl)c2n1C(C)C.CCCCCCCCCCNc1nc2cc(C(F)(F)F)ccc2n1C(C)C
InChIInChI=1S/C23H19ClF3N3.C21H31ClF3N3.C21H32F3N3.C18H17ClF3N3.C18H18F3N3/c1-14(2)30-21-19(24)12-17(23(25,26)27)13-20(21)29-22(30)28-18-10-8-16(9-11-18)15-6-4-3-5-7-15;1-4-5-6-7-8-9-10-11-12-26-20-27-18-14-16(21(23,24)25)13-17(22)19(18)28(20)15(2)3;1-4-5-6-7-8-9-10-11-14-25-20-26-18-15-17(21(22,23)24)12-13-19(18)27(20)16(2)3;1-11(2)25-16-14(19)8-13(18(20,21)22)9-15(16)24-17(25)23-10-12-6-4-3-5-7-12;1-12(2)24-16-9-8-14(18(19,20)21)10-15(16)23-17(24)22-11-13-6-4-3-5-7-13/h3-14H,1-2H3,(H,28,29);13-15H,4-12H2,1-3H3,(H,26,27);12-13,15-16H,4-11,14H2,1-3H3,(H,25,26);3-9,11H,10H2,1-2H3,(H,23,24);3-10,12H,11H2,1-2H3,(H,22,23)
InChIKeyIDJLIVKTKWOPBO-UHFFFAOYSA-N
XLogP33.88
TPSA149.25 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds34
Heavy Atoms134
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001932.48
LogP ≤ 533.88
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze N-benzyl-7-chloro-1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-amine;N-benzyl-1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-amine;7-chloro-N-decyl-1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-amine;7-chloro-N-(4-phenylphenyl)-1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-amine;N-decyl-1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-amine with MolForge

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Related Compounds

7-chloro-N-[(4-phenylphenyl)methyl]-1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-amine
CID 57549922
N-benzyl-7-chloro-1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-amine
CID 57549923
7-chloro-N-(4-phenylphenyl)-1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-amine
CID 57549946
7-chloro-1-propan-2-yl-5-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine
CID 57549951
7-chloro-1-methyl-N-[(4-phenylphenyl)methyl]-5-(trifluoromethyl)benzimidazol-2-amine
CID 68259447
7-chloro-1-methyl-N-(4-phenylphenyl)-5-(trifluoromethyl)benzimidazol-2-amine
CID 68259568
1-tert-butyl-5-[3-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]amino]phenyl]-N-(3-fluorophenyl)benzimidazol-2-amine
CID 155349399
bis(2-tert-butyl-6-chloro-1H-benzimidazole);bis(2-tert-butyl-5-chloro-6-fluoro-1H-benzimidazole);2-tert-butyl-4,6-difluoro-1H-benzimidazole;2-tert-butyl-4,6-dimethyl-1H-benzimidazole;tris(2-tert-butyl-6-methyl-1H-benzimidazole);2-tert-butyl-4-(trifluoromethyl)-1H-benzimidazole
CID 157201738
bis(2-tert-butyl-6-chloro-1H-benzimidazole);bis(2-tert-butyl-5-chloro-6-fluoro-1H-benzimidazole);bis(2-tert-butyl-4-chloro-6-methyl-1H-benzimidazole);2-tert-butyl-4,6-dimethyl-1H-benzimidazole;2-tert-butyl-5,6-dimethyl-1H-benzimidazole;tris(2-tert-butyl-6-methyl-1H-benzimidazole);2-tert-butyl-6-methyl-4-(trifluoromethyl)-1H-benzimidazole
CID 157797028
bis(2-tert-butyl-6-chloro-1H-benzimidazole);bis(2-tert-butyl-5-chloro-6-fluoro-1H-benzimidazole);bis(2-tert-butyl-4-chloro-6-methyl-1H-benzimidazole);2-tert-butyl-4,6-difluoro-1H-benzimidazole;bis(2-tert-butyl-4,6-dimethyl-1H-benzimidazole);2-tert-butyl-5,6-dimethyl-1H-benzimidazole;tetrakis(2-tert-butyl-6-methyl-1H-benzimidazole);2-tert-butyl-6-methyl-4-(trifluoromethyl)-1H-benzimidazole;2-tert-butyl-4,5,6-trifluoro-1H-benzimidazole;2-tert-butyl-4-(trifluoromethyl)-1H-benzimidazole
CID 158044842
bis(2-tert-butyl-6-chloro-1H-benzimidazole);bis(2-tert-butyl-5-chloro-6-fluoro-1H-benzimidazole);tris(2-tert-butyl-6-methyl-1H-benzimidazole);bis(2-tert-butyl-6-methyl-4-(trifluoromethyl)-1H-benzimidazole)
CID 158499624
bis(2-tert-butyl-4-chloro-6-methyl-1H-benzimidazole);2-tert-butyl-4,6-dichloro-1H-benzimidazole;2-tert-butyl-5,6-dimethyl-1H-benzimidazole;tetrakis(2-tert-butyl-6-methyl-1H-benzimidazole);bis(2-tert-butyl-6-methyl-4-(trifluoromethyl)-1H-benzimidazole)
CID 158520494

Frequently Asked Questions

What is the IUPAC name of N-benzyl-7-chloro-1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-amine;N-benzyl-1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-amine;7-chloro-N-decyl-1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-amine;7-chloro-N-(4-phenylphenyl)-1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-amine;N-decyl-1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-amine?
The IUPAC name of N-benzyl-7-chloro-1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-amine;N-benzyl-1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-amine;7-chloro-N-decyl-1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-amine;7-chloro-N-(4-phenylphenyl)-1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-amine;N-decyl-1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-amine (CID 158666141) is N-benzyl-7-chloro-1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-amine;N-benzyl-1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-amine;7-chloro-N-decyl-1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-amine;7-chloro-N-(4-phenylphenyl)-1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-amine;N-decyl-1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-amine.
What is the SMILES notation for N-benzyl-7-chloro-1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-amine;N-benzyl-1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-amine;7-chloro-N-decyl-1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-amine;7-chloro-N-(4-phenylphenyl)-1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-amine;N-decyl-1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-amine?
The canonical SMILES for N-benzyl-7-chloro-1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-amine;N-benzyl-1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-amine;7-chloro-N-decyl-1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-amine;7-chloro-N-(4-phenylphenyl)-1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-amine;N-decyl-1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-amine is CC(C)n1c(NCc2ccccc2)nc2cc(C(F)(F)F)cc(Cl)c21.CC(C)n1c(NCc2ccccc2)nc2cc(C(F)(F)F)ccc21.CC(C)n1c(Nc2ccc(-c3ccccc3)cc2)nc2cc(C(F)(F)F)cc(Cl)c21.CCCCCCCCCCNc1nc2cc(C(F)(F)F)cc(Cl)c2n1C(C)C.CCCCCCCCCCNc1nc2cc(C(F)(F)F)ccc2n1C(C)C.
What is the InChIKey of N-benzyl-7-chloro-1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-amine;N-benzyl-1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-amine;7-chloro-N-decyl-1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-amine;7-chloro-N-(4-phenylphenyl)-1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-amine;N-decyl-1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-amine?
The InChIKey is IDJLIVKTKWOPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClF3N3.C21H31ClF3N3.C21H32F3N3.C18H17ClF3N3.C18H18F3N3/c1-14(2)30-21-19(24)12-17(23(25,26)27)13-20(21)29-22(30)28-18-10-8-16(9-11-18)15-6-4-3-5-7-15;1-4-5-6-7-8-9-10-11-12-26-20-27-18-14-16(21(23,24)25)13-17(22)19(18)28(20)15(2)3;1-4-5-6-7-8-9-10-11-14-25-20-26-18-15-17(21(22,23)24)12-13-19(18)27(20)16(2)3;1-11(2)25-16-14(19)8-13(18(20,21)22)9-15(16)24-17(25)23-10-12-6-4-3-5-7-12;1-12(2)24-16-9-8-14(18(19,20)21)10-15(16)23-17(24)22-11-13-6-4-3-5-7-13/h3-14H,1-2H3,(H,28,29);13-15H,4-12H2,1-3H3,(H,26,27);12-13,15-16H,4-11,14H2,1-3H3,(H,25,26);3-9,11H,10H2,1-2H3,(H,23,24);3-10,12H,11H2,1-2H3,(H,22,23).
What are the key properties of N-benzyl-7-chloro-1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-amine;N-benzyl-1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-amine;7-chloro-N-decyl-1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-amine;7-chloro-N-(4-phenylphenyl)-1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-amine;N-decyl-1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-amine?
N-benzyl-7-chloro-1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-amine;N-benzyl-1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-amine;7-chloro-N-decyl-1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-amine;7-chloro-N-(4-phenylphenyl)-1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-amine;N-decyl-1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-amine has a molecular weight of 1932.48 g/mol, XLogP of 33.88, 34 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-7-chloro-1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-amine;N-benzyl-1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-amine;7-chloro-N-decyl-1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-amine;7-chloro-N-(4-phenylphenyl)-1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-amine;N-decyl-1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-amine is sourced from PubChem (CID 158666141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).