N-(5-chloro-1H-indol-3-yl)-1-methyl-5-(trifluoromethyl)benzimidazol-2-amine

C17H12ClF3N4 — CID 156865281

IUPACN-(5-chloro-1H-indol-3-yl)-1-methyl-5-(trifluoromethyl)benzimidazol-2-amine
SMILESCn1c(Nc2c[nH]c3ccc(Cl)cc23)nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C17H12ClF3N4/c1-25-15-5-2-9(17(19,20)21)6-13(15)23-16(25)24-14-8-22-12-4-3-10(18)7-11(12)14/h2-8,22H,1H3,(H,23,24)
InChIKeyLAGIZHAUZUUHQS-UHFFFAOYSA-N
MW364.76 g/mol
LogP5.47
Rot. Bonds2

About N-(5-chloro-1H-indol-3-yl)-1-methyl-5-(trifluoromethyl)benzimidazol-2-amine

N-(5-chloro-1H-indol-3-yl)-1-methyl-5-(trifluoromethyl)benzimidazol-2-amine (PubChem CID 156865281) has the molecular formula C17H12ClF3N4 and a molecular weight of 364.76 g/mol. Its IUPAC name is N-(5-chloro-1H-indol-3-yl)-1-methyl-5-(trifluoromethyl)benzimidazol-2-amine.

Molecular Properties

Compound NameN-(5-chloro-1H-indol-3-yl)-1-methyl-5-(trifluoromethyl)benzimidazol-2-amine
PubChem CID156865281
Molecular FormulaC17H12ClF3N4
Molecular Weight364.76 g/mol
Exact Mass364.07
IUPAC NameN-(5-chloro-1H-indol-3-yl)-1-methyl-5-(trifluoromethyl)benzimidazol-2-amine
SMILESCn1c(Nc2c[nH]c3ccc(Cl)cc23)nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C17H12ClF3N4/c1-25-15-5-2-9(17(19,20)21)6-13(15)23-16(25)24-14-8-22-12-4-3-10(18)7-11(12)14/h2-8,22H,1H3,(H,23,24)
InChIKeyLAGIZHAUZUUHQS-UHFFFAOYSA-N
XLogP5.47
TPSA45.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.76
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[2-[(5-chloro-1H-indol-3-yl)amino]-5-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol
CID 167428607
N-(1H-indol-3-yl)-1-methylbenzimidazol-2-amine
CID 115143953
5-(1,1-difluoroethyl)-2-N-(4-fluoro-5-methyl-1H-indol-3-yl)-1-N-methylbenzimidazole-1,2-diamine
CID 175617953
1-methyl-2-methylsulfanyl-5-(trifluoromethyl)benzimidazole
CID 134095240
2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine
CID 46310390
5-[[2-(6-chloro-1H-benzimidazol-2-yl)-4-pyridinyl]oxy]-1-methyl-N-[3-(trifluoromethyl)phenyl]benzimidazol-2-amine
CID 22040474
2-chloro-9-methyl-6-(trifluoromethyl)acridine
CID 146170270
N-(1,5-dimethylbenzimidazol-2-yl)-6-(trifluoromethyl)-1,3-benzothiazol-2-amine
CID 134445468
N-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-methyl-6-phenoxybenzimidazol-2-amine
CID 167428718
N-[2-chloro-4-(trifluoromethyl)phenyl]-1-methyl-5-[[2-(nitrosomethyl)-4-pyridinyl]oxy]benzimidazol-2-amine
CID 90819101
1-methyl-5-(trifluoromethyl)benzimidazole-2-carbaldehyde;hydrate
CID 135741274
N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]cyclopropanamine
CID 80711654

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-1H-indol-3-yl)-1-methyl-5-(trifluoromethyl)benzimidazol-2-amine?
The IUPAC name of N-(5-chloro-1H-indol-3-yl)-1-methyl-5-(trifluoromethyl)benzimidazol-2-amine (CID 156865281) is N-(5-chloro-1H-indol-3-yl)-1-methyl-5-(trifluoromethyl)benzimidazol-2-amine.
What is the SMILES notation for N-(5-chloro-1H-indol-3-yl)-1-methyl-5-(trifluoromethyl)benzimidazol-2-amine?
The canonical SMILES for N-(5-chloro-1H-indol-3-yl)-1-methyl-5-(trifluoromethyl)benzimidazol-2-amine is Cn1c(Nc2c[nH]c3ccc(Cl)cc23)nc2cc(C(F)(F)F)ccc21.
What is the InChIKey of N-(5-chloro-1H-indol-3-yl)-1-methyl-5-(trifluoromethyl)benzimidazol-2-amine?
The InChIKey is LAGIZHAUZUUHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF3N4/c1-25-15-5-2-9(17(19,20)21)6-13(15)23-16(25)24-14-8-22-12-4-3-10(18)7-11(12)14/h2-8,22H,1H3,(H,23,24).
What are the key properties of N-(5-chloro-1H-indol-3-yl)-1-methyl-5-(trifluoromethyl)benzimidazol-2-amine?
N-(5-chloro-1H-indol-3-yl)-1-methyl-5-(trifluoromethyl)benzimidazol-2-amine has a molecular weight of 364.76 g/mol, XLogP of 5.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-1H-indol-3-yl)-1-methyl-5-(trifluoromethyl)benzimidazol-2-amine is sourced from PubChem (CID 156865281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).