[6-chloro-4-(trifluoromethyl)-1H-benzimidazol-2-yl]methanamine

C9H7ClF3N3 — CID 82184463

IUPAC[6-chloro-4-(trifluoromethyl)-1H-benzimidazol-2-yl]methanamine
SMILESNCc1nc2c(C(F)(F)F)cc(Cl)cc2[nH]1
InChIInChI=1S/C9H7ClF3N3/c10-4-1-5(9(11,12)13)8-6(2-4)15-7(3-14)16-8/h1-2H,3,14H2,(H,15,16)
InChIKeyUOSPYIFOCIQMMS-UHFFFAOYSA-N
MW249.62 g/mol
LogP2.69
Rot. Bonds1

About [6-chloro-4-(trifluoromethyl)-1H-benzimidazol-2-yl]methanamine

[6-chloro-4-(trifluoromethyl)-1H-benzimidazol-2-yl]methanamine (PubChem CID 82184463) has the molecular formula C9H7ClF3N3 and a molecular weight of 249.62 g/mol. Its IUPAC name is [6-chloro-4-(trifluoromethyl)-1H-benzimidazol-2-yl]methanamine.

Molecular Properties

Compound Name[6-chloro-4-(trifluoromethyl)-1H-benzimidazol-2-yl]methanamine
PubChem CID82184463
Molecular FormulaC9H7ClF3N3
Molecular Weight249.62 g/mol
Exact Mass249.03
IUPAC Name[6-chloro-4-(trifluoromethyl)-1H-benzimidazol-2-yl]methanamine
SMILESNCc1nc2c(C(F)(F)F)cc(Cl)cc2[nH]1
InChIInChI=1S/C9H7ClF3N3/c10-4-1-5(9(11,12)13)8-6(2-4)15-7(3-14)16-8/h1-2H,3,14H2,(H,15,16)
InChIKeyUOSPYIFOCIQMMS-UHFFFAOYSA-N
XLogP2.69
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.62
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-[6-methyl-4-(trifluoromethyl)-1H-benzimidazol-2-yl]propan-2-amine
CID 134452341
2-(2,2-dimethylpropyl)-6-methyl-4-(trifluoromethyl)-1H-benzimidazole
CID 134452328
(4-amino-6-chloro-1H-benzimidazol-2-yl)methanol
CID 115647651
2-chloro-4,6-bis(trifluoromethyl)-1H-benzimidazole
CID 11529388
[5-chloro-3-(trifluoromethyl)-2-pyridinyl]methanamine;hydrochloride
CID 110208958
2,6-dichloro-3-methyl-8-(trifluoromethyl)quinoline
CID 55175565
6-methyl-4-(trifluoromethyl)-1H-benzimidazol-2-amine
CID 130051716
1-[4,6-bis(trifluoromethyl)-1H-benzimidazol-2-yl]-N-methyl-N-(methylsulfonylmethyl)methanamine
CID 134457910
2-(bromomethyl)-6-chloro-4-(difluoromethoxy)-1H-benzimidazole
CID 131497083
[4-(4-chlorophenyl)-1H-benzimidazol-2-yl]methanamine
CID 170918495
2,6-di(propan-2-yl)-4-(trifluoromethyl)-1H-benzimidazole
CID 164713884
5-chloro-2-methyl-6-(trifluoromethyl)-1H-benzimidazol-4-amine
CID 14281417

Frequently Asked Questions

What is the IUPAC name of [6-chloro-4-(trifluoromethyl)-1H-benzimidazol-2-yl]methanamine?
The IUPAC name of [6-chloro-4-(trifluoromethyl)-1H-benzimidazol-2-yl]methanamine (CID 82184463) is [6-chloro-4-(trifluoromethyl)-1H-benzimidazol-2-yl]methanamine.
What is the SMILES notation for [6-chloro-4-(trifluoromethyl)-1H-benzimidazol-2-yl]methanamine?
The canonical SMILES for [6-chloro-4-(trifluoromethyl)-1H-benzimidazol-2-yl]methanamine is NCc1nc2c(C(F)(F)F)cc(Cl)cc2[nH]1.
What is the InChIKey of [6-chloro-4-(trifluoromethyl)-1H-benzimidazol-2-yl]methanamine?
The InChIKey is UOSPYIFOCIQMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF3N3/c10-4-1-5(9(11,12)13)8-6(2-4)15-7(3-14)16-8/h1-2H,3,14H2,(H,15,16).
What are the key properties of [6-chloro-4-(trifluoromethyl)-1H-benzimidazol-2-yl]methanamine?
[6-chloro-4-(trifluoromethyl)-1H-benzimidazol-2-yl]methanamine has a molecular weight of 249.62 g/mol, XLogP of 2.69, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-4-(trifluoromethyl)-1H-benzimidazol-2-yl]methanamine is sourced from PubChem (CID 82184463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).