4-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-N-methylbutan-1-amine;ethane

C15H21ClF3N3 — CID 144721415

IUPAC4-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-N-methylbutan-1-amine;ethane
SMILESCC.CNCCCCc1nc2cc(Cl)c(C(F)(F)F)cc2[nH]1
InChIInChI=1S/C13H15ClF3N3.C2H6/c1-18-5-3-2-4-12-19-10-6-8(13(15,16)17)9(14)7-11(10)20-12;1-2/h6-7,18H,2-5H2,1H3,(H,19,20);1-2H3
InChIKeyJCRRLZULOYUFKM-UHFFFAOYSA-N
MW335.80 g/mol
LogP4.80
Rot. Bonds5

About 4-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-N-methylbutan-1-amine;ethane

4-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-N-methylbutan-1-amine;ethane (PubChem CID 144721415) has the molecular formula C15H21ClF3N3 and a molecular weight of 335.80 g/mol. Its IUPAC name is 4-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-N-methylbutan-1-amine;ethane.

Molecular Properties

Compound Name4-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-N-methylbutan-1-amine;ethane
PubChem CID144721415
Molecular FormulaC15H21ClF3N3
Molecular Weight335.80 g/mol
Exact Mass335.14
IUPAC Name4-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-N-methylbutan-1-amine;ethane
SMILESCC.CNCCCCc1nc2cc(Cl)c(C(F)(F)F)cc2[nH]1
InChIInChI=1S/C13H15ClF3N3.C2H6/c1-18-5-3-2-4-12-19-10-6-8(13(15,16)17)9(14)7-11(10)20-12;1-2/h6-7,18H,2-5H2,1H3,(H,19,20);1-2H3
InChIKeyJCRRLZULOYUFKM-UHFFFAOYSA-N
XLogP4.80
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.80
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-N-methylbutan-1-amine;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]butyl]methanesulfonamide
CID 90035954
3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-methylpropan-1-amine
CID 62336189
2-bromo-5-chloro-6-(trifluoromethyl)-1H-benzimidazole
CID 130053401
5,6-difluoro-2-nonyl-1H-benzimidazole
CID 65427108
3-(3H-imidazo[4,5-c]pyridin-2-yl)-N-methylpropan-1-amine
CID 63268455
2-(6-chloro-1H-benzimidazol-2-yl)-N-methylethanamine;hydrochloride
CID 53398953
3-(5-chloro-6-methyl-1H-benzimidazol-2-yl)propan-1-amine
CID 82184501
5-(5,6-dichloro-1H-benzimidazol-2-yl)pentanoic acid
CID 82001351
5,6-dichloro-2-(3-ethoxypropyl)-1H-benzimidazole
CID 82003888
5,6-dichloro-2-(2-chloroethyl)-1H-benzimidazole
CID 82004888
6-chloro-2-[6-(6-chloro-1H-benzimidazol-2-yl)hexyl]-1H-benzimidazole
CID 23276808
2-(2-azidopropan-2-yl)-5-chloro-6-(trifluoromethyl)-1H-benzimidazole
CID 141052591

Frequently Asked Questions

What is the IUPAC name of 4-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-N-methylbutan-1-amine;ethane?
The IUPAC name of 4-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-N-methylbutan-1-amine;ethane (CID 144721415) is 4-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-N-methylbutan-1-amine;ethane.
What is the SMILES notation for 4-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-N-methylbutan-1-amine;ethane?
The canonical SMILES for 4-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-N-methylbutan-1-amine;ethane is CC.CNCCCCc1nc2cc(Cl)c(C(F)(F)F)cc2[nH]1.
What is the InChIKey of 4-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-N-methylbutan-1-amine;ethane?
The InChIKey is JCRRLZULOYUFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClF3N3.C2H6/c1-18-5-3-2-4-12-19-10-6-8(13(15,16)17)9(14)7-11(10)20-12;1-2/h6-7,18H,2-5H2,1H3,(H,19,20);1-2H3.
What are the key properties of 4-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-N-methylbutan-1-amine;ethane?
4-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-N-methylbutan-1-amine;ethane has a molecular weight of 335.80 g/mol, XLogP of 4.80, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-N-methylbutan-1-amine;ethane is sourced from PubChem (CID 144721415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).