[4-[3,5-dichloro-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]methanamine

C21H14Cl2F3N3 — CID 162662664

IUPAC[4-[3,5-dichloro-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]methanamine
SMILESNCc1ccc(-c2cc(Cl)c(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c(Cl)c2)cc1
InChIInChI=1S/C21H14Cl2F3N3/c22-15-7-13(12-3-1-11(10-27)2-4-12)8-16(23)19(15)20-28-17-6-5-14(21(24,25)26)9-18(17)29-20/h1-9H,10,27H2,(H,28,29)
InChIKeySSZPYADICZBEPG-UHFFFAOYSA-N
MW436.26 g/mol
LogP6.68
Rot. Bonds3

About [4-[3,5-dichloro-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]methanamine

[4-[3,5-dichloro-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]methanamine (PubChem CID 162662664) has the molecular formula C21H14Cl2F3N3 and a molecular weight of 436.26 g/mol. Its IUPAC name is [4-[3,5-dichloro-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[3,5-dichloro-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]methanamine
PubChem CID162662664
Molecular FormulaC21H14Cl2F3N3
Molecular Weight436.26 g/mol
Exact Mass435.05
IUPAC Name[4-[3,5-dichloro-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]methanamine
SMILESNCc1ccc(-c2cc(Cl)c(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c(Cl)c2)cc1
InChIInChI=1S/C21H14Cl2F3N3/c22-15-7-13(12-3-1-11(10-27)2-4-12)8-16(23)19(15)20-28-17-6-5-14(21(24,25)26)9-18(17)29-20/h1-9H,10,27H2,(H,28,29)
InChIKeySSZPYADICZBEPG-UHFFFAOYSA-N
XLogP6.68
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.26
LogP ≤ 56.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-dichlorophenyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 81455237
2-(3-chloro-4-iodophenyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 103222495
2-[4-[5-(bromomethyl)-3-chloro-2-pyridinyl]phenyl]-6-(trifluoromethyl)-1H-benzimidazole
CID 25061702
1-phenyl-N-[[4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]methyl]methanamine
CID 44524498
2-[2-chloro-4-(3-chloro-2-pyridinyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazole
CID 11553265
molecular hydrogen;4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]aniline
CID 161338412
[2-(3,5-dichlorophenyl)-3H-benzimidazol-5-yl]methanamine
CID 79004447
6-(trifluoromethyl)-2-[6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]-1H-benzimidazole
CID 86076167
4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]benzamide
CID 71731138
N-[(4-methoxyphenyl)methyl]-1-[4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]methanamine
CID 44524536
2-fluoro-5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]aniline
CID 81455212
5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-2-amine
CID 81455369

Frequently Asked Questions

What is the IUPAC name of [4-[3,5-dichloro-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]methanamine?
The IUPAC name of [4-[3,5-dichloro-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]methanamine (CID 162662664) is [4-[3,5-dichloro-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]methanamine.
What is the SMILES notation for [4-[3,5-dichloro-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]methanamine?
The canonical SMILES for [4-[3,5-dichloro-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]methanamine is NCc1ccc(-c2cc(Cl)c(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c(Cl)c2)cc1.
What is the InChIKey of [4-[3,5-dichloro-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]methanamine?
The InChIKey is SSZPYADICZBEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl2F3N3/c22-15-7-13(12-3-1-11(10-27)2-4-12)8-16(23)19(15)20-28-17-6-5-14(21(24,25)26)9-18(17)29-20/h1-9H,10,27H2,(H,28,29).
What are the key properties of [4-[3,5-dichloro-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]methanamine?
[4-[3,5-dichloro-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]methanamine has a molecular weight of 436.26 g/mol, XLogP of 6.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3,5-dichloro-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]methanamine is sourced from PubChem (CID 162662664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).