[1-methyl-2-(3,4,5-trifluorophenyl)benzimidazol-5-yl]methanamine

C15H12F3N3 — CID 65037693

IUPAC[1-methyl-2-(3,4,5-trifluorophenyl)benzimidazol-5-yl]methanamine
SMILESCn1c(-c2cc(F)c(F)c(F)c2)nc2cc(CN)ccc21
InChIInChI=1S/C15H12F3N3/c1-21-13-3-2-8(7-19)4-12(13)20-15(21)9-5-10(16)14(18)11(17)6-9/h2-6H,7,19H2,1H3
InChIKeyOZBRJPVAXGMTRJ-UHFFFAOYSA-N
MW291.28 g/mol
LogP3.12
Rot. Bonds2

About [1-methyl-2-(3,4,5-trifluorophenyl)benzimidazol-5-yl]methanamine

[1-methyl-2-(3,4,5-trifluorophenyl)benzimidazol-5-yl]methanamine (PubChem CID 65037693) has the molecular formula C15H12F3N3 and a molecular weight of 291.28 g/mol. Its IUPAC name is [1-methyl-2-(3,4,5-trifluorophenyl)benzimidazol-5-yl]methanamine.

Molecular Properties

Compound Name[1-methyl-2-(3,4,5-trifluorophenyl)benzimidazol-5-yl]methanamine
PubChem CID65037693
Molecular FormulaC15H12F3N3
Molecular Weight291.28 g/mol
Exact Mass291.10
IUPAC Name[1-methyl-2-(3,4,5-trifluorophenyl)benzimidazol-5-yl]methanamine
SMILESCn1c(-c2cc(F)c(F)c(F)c2)nc2cc(CN)ccc21
InChIInChI=1S/C15H12F3N3/c1-21-13-3-2-8(7-19)4-12(13)20-15(21)9-5-10(16)14(18)11(17)6-9/h2-6H,7,19H2,1H3
InChIKeyOZBRJPVAXGMTRJ-UHFFFAOYSA-N
XLogP3.12
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

[2-(3,4-difluorophenyl)-1-methylbenzimidazol-5-yl]methanamine
CID 65038170
[2-(2,5-difluorophenyl)-1-methylbenzimidazol-5-yl]methanamine
CID 65040476
[2-(3,4-difluorophenyl)-3-methylbenzimidazol-5-yl]methanamine
CID 104713201
[2-(4-bromo-2-fluorophenyl)-1-methylbenzimidazol-5-yl]methanamine
CID 65037738
[2-(2-chloro-6-fluorophenyl)-1-methylbenzimidazol-5-yl]methanamine
CID 65040058
[2-[(2-fluorophenyl)methyl]-1-methylbenzimidazol-5-yl]methanamine
CID 65038217
[2-(2,6-dimethyl-3-pyridinyl)-1-methylbenzimidazol-5-yl]methanamine
CID 65040719
[2-(3-bromo-4-methoxyphenyl)-1-methylbenzimidazol-5-yl]methanamine
CID 65040239
[6-(5-fluoro-1-methylbenzimidazol-2-yl)-3-pyridinyl]methanamine
CID 81098767
[2-(3-chloro-5-methylphenyl)-3-methylbenzimidazol-5-yl]methanamine
CID 104713172
2-(1,2-dimethylbenzimidazol-5-yl)ethanamine
CID 82255152
[2-(4-tert-butylthiadiazol-5-yl)-1-methylbenzimidazol-5-yl]methanamine
CID 65207947

Frequently Asked Questions

What is the IUPAC name of [1-methyl-2-(3,4,5-trifluorophenyl)benzimidazol-5-yl]methanamine?
The IUPAC name of [1-methyl-2-(3,4,5-trifluorophenyl)benzimidazol-5-yl]methanamine (CID 65037693) is [1-methyl-2-(3,4,5-trifluorophenyl)benzimidazol-5-yl]methanamine.
What is the SMILES notation for [1-methyl-2-(3,4,5-trifluorophenyl)benzimidazol-5-yl]methanamine?
The canonical SMILES for [1-methyl-2-(3,4,5-trifluorophenyl)benzimidazol-5-yl]methanamine is Cn1c(-c2cc(F)c(F)c(F)c2)nc2cc(CN)ccc21.
What is the InChIKey of [1-methyl-2-(3,4,5-trifluorophenyl)benzimidazol-5-yl]methanamine?
The InChIKey is OZBRJPVAXGMTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3/c1-21-13-3-2-8(7-19)4-12(13)20-15(21)9-5-10(16)14(18)11(17)6-9/h2-6H,7,19H2,1H3.
What are the key properties of [1-methyl-2-(3,4,5-trifluorophenyl)benzimidazol-5-yl]methanamine?
[1-methyl-2-(3,4,5-trifluorophenyl)benzimidazol-5-yl]methanamine has a molecular weight of 291.28 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-2-(3,4,5-trifluorophenyl)benzimidazol-5-yl]methanamine is sourced from PubChem (CID 65037693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).