1-[3-(benzimidazol-1-yl)-5-(trifluoromethyl)phenyl]-N-methylbenzimidazol-2-amine

C22H16F3N5 — CID 163654372

IUPAC1-[3-(benzimidazol-1-yl)-5-(trifluoromethyl)phenyl]-N-methylbenzimidazol-2-amine
SMILESCNc1nc2ccccc2n1-c1cc(-n2cnc3ccccc32)cc(C(F)(F)F)c1
InChIInChI=1S/C22H16F3N5/c1-26-21-28-18-7-3-5-9-20(18)30(21)16-11-14(22(23,24)25)10-15(12-16)29-13-27-17-6-2-4-8-19(17)29/h2-13H,1H3,(H,26,28)
InChIKeyIOXDSMNRMVISDY-UHFFFAOYSA-N
MW407.40 g/mol
LogP5.42
Rot. Bonds3

About 1-[3-(benzimidazol-1-yl)-5-(trifluoromethyl)phenyl]-N-methylbenzimidazol-2-amine

1-[3-(benzimidazol-1-yl)-5-(trifluoromethyl)phenyl]-N-methylbenzimidazol-2-amine (PubChem CID 163654372) has the molecular formula C22H16F3N5 and a molecular weight of 407.40 g/mol. Its IUPAC name is 1-[3-(benzimidazol-1-yl)-5-(trifluoromethyl)phenyl]-N-methylbenzimidazol-2-amine.

Molecular Properties

Compound Name1-[3-(benzimidazol-1-yl)-5-(trifluoromethyl)phenyl]-N-methylbenzimidazol-2-amine
PubChem CID163654372
Molecular FormulaC22H16F3N5
Molecular Weight407.40 g/mol
Exact Mass407.14
IUPAC Name1-[3-(benzimidazol-1-yl)-5-(trifluoromethyl)phenyl]-N-methylbenzimidazol-2-amine
SMILESCNc1nc2ccccc2n1-c1cc(-n2cnc3ccccc32)cc(C(F)(F)F)c1
InChIInChI=1S/C22H16F3N5/c1-26-21-28-18-7-3-5-9-20(18)30(21)16-11-14(22(23,24)25)10-15(12-16)29-13-27-17-6-2-4-8-19(17)29/h2-13H,1H3,(H,26,28)
InChIKeyIOXDSMNRMVISDY-UHFFFAOYSA-N
XLogP5.42
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.40
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Lerisetron
CID 65997
Tecastemizole
CID 123618
4-((1-Methyl-5-(2-Methyl-Benzoimidazol-1-Ylmethyl)-1h-Benzoimidazol-2-Ylmethyl)-Amino)-Benzamidine
CID 445756
2-(2,6-Difluorophenyl)-1-[(2,6-difluorophenyl)methyl]benzimidazol-4-amine
CID 492675
1-(3-Methylphenyl)-1H-benzimidazol-5-amine
CID 1510981
Ono-8590580
CID 118278442
1-(2,6-difluorobenzyl)-2-(2,6-difluorophenyl)-4-(N-methylamino)benzimidazole
CID 492677
2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]-N,N-dimethyl-benzimidazol-4-amine
CID 492678
N-[(1-benzylbenzimidazol-2-yl)methyl]-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine
CID 1043331
1-Benzyl-5-fluoro-2-piperazin-1-ylbenzimidazole
CID 9839681
4-(4-Methylphenyl)-1,4-dihydro[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 4314842
1H-Benzimidazole, 2-(2,6-difluorophenyl)-4-methyl-1-(phenylmethyl)-
CID 468856

Frequently Asked Questions

What is the IUPAC name of 1-[3-(benzimidazol-1-yl)-5-(trifluoromethyl)phenyl]-N-methylbenzimidazol-2-amine?
The IUPAC name of 1-[3-(benzimidazol-1-yl)-5-(trifluoromethyl)phenyl]-N-methylbenzimidazol-2-amine (CID 163654372) is 1-[3-(benzimidazol-1-yl)-5-(trifluoromethyl)phenyl]-N-methylbenzimidazol-2-amine.
What is the SMILES notation for 1-[3-(benzimidazol-1-yl)-5-(trifluoromethyl)phenyl]-N-methylbenzimidazol-2-amine?
The canonical SMILES for 1-[3-(benzimidazol-1-yl)-5-(trifluoromethyl)phenyl]-N-methylbenzimidazol-2-amine is CNc1nc2ccccc2n1-c1cc(-n2cnc3ccccc32)cc(C(F)(F)F)c1.
What is the InChIKey of 1-[3-(benzimidazol-1-yl)-5-(trifluoromethyl)phenyl]-N-methylbenzimidazol-2-amine?
The InChIKey is IOXDSMNRMVISDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N5/c1-26-21-28-18-7-3-5-9-20(18)30(21)16-11-14(22(23,24)25)10-15(12-16)29-13-27-17-6-2-4-8-19(17)29/h2-13H,1H3,(H,26,28).
What are the key properties of 1-[3-(benzimidazol-1-yl)-5-(trifluoromethyl)phenyl]-N-methylbenzimidazol-2-amine?
1-[3-(benzimidazol-1-yl)-5-(trifluoromethyl)phenyl]-N-methylbenzimidazol-2-amine has a molecular weight of 407.40 g/mol, XLogP of 5.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(benzimidazol-1-yl)-5-(trifluoromethyl)phenyl]-N-methylbenzimidazol-2-amine is sourced from PubChem (CID 163654372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).