2-(1-chloroethyl)-1-(1-cyclopropylethyl)-5-(trifluoromethyl)benzimidazole

C15H16ClF3N2 — CID 115502219

IUPAC2-(1-chloroethyl)-1-(1-cyclopropylethyl)-5-(trifluoromethyl)benzimidazole
SMILESCC(Cl)c1nc2cc(C(F)(F)F)ccc2n1C(C)C1CC1
InChIInChI=1S/C15H16ClF3N2/c1-8(16)14-20-12-7-11(15(17,18)19)5-6-13(12)21(14)9(2)10-3-4-10/h5-10H,3-4H2,1-2H3
InChIKeyQHAOOVCHGDNTMA-UHFFFAOYSA-N
MW316.75 g/mol
LogP5.33
Rot. Bonds3

About 2-(1-chloroethyl)-1-(1-cyclopropylethyl)-5-(trifluoromethyl)benzimidazole

2-(1-chloroethyl)-1-(1-cyclopropylethyl)-5-(trifluoromethyl)benzimidazole (PubChem CID 115502219) has the molecular formula C15H16ClF3N2 and a molecular weight of 316.75 g/mol. Its IUPAC name is 2-(1-chloroethyl)-1-(1-cyclopropylethyl)-5-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name2-(1-chloroethyl)-1-(1-cyclopropylethyl)-5-(trifluoromethyl)benzimidazole
PubChem CID115502219
Molecular FormulaC15H16ClF3N2
Molecular Weight316.75 g/mol
Exact Mass316.10
IUPAC Name2-(1-chloroethyl)-1-(1-cyclopropylethyl)-5-(trifluoromethyl)benzimidazole
SMILESCC(Cl)c1nc2cc(C(F)(F)F)ccc2n1C(C)C1CC1
InChIInChI=1S/C15H16ClF3N2/c1-8(16)14-20-12-7-11(15(17,18)19)5-6-13(12)21(14)9(2)10-3-4-10/h5-10H,3-4H2,1-2H3
InChIKeyQHAOOVCHGDNTMA-UHFFFAOYSA-N
XLogP5.33
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.75
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(1-chloroethyl)-1-(thiolan-3-yl)-5-(trifluoromethyl)benzimidazole
CID 103063846
5-bromo-2-(1-chloroethyl)-1-(1-cyclopropylethyl)-6-fluorobenzimidazole
CID 66088892
2-(1-chloroethyl)-1-(1-cyclopentylethyl)-5-fluoro-6-methylbenzimidazole
CID 103593761
2-(1-chloroethyl)-1-(dicyclopropylmethyl)-5-iodobenzimidazole
CID 66081644
5-bromo-2-(1-chloroethyl)-1-(1-cyclopentylethyl)-6-fluorobenzimidazole
CID 66087724
2-[2-(1-chloroethyl)-5-(trifluoromethyl)benzimidazol-1-yl]-N,N-dimethylethanamine
CID 115502152
2-(1-chloroethyl)-5-fluoro-1-[1-(oxolan-2-yl)ethyl]benzimidazole
CID 43667615
2-tert-butyl-1-propan-2-yl-5-(trifluoromethyl)benzimidazole
CID 46310550
2-(1-chloroethyl)-5-methyl-1-[1-(oxolan-2-yl)ethyl]benzimidazole
CID 43667623
1-[2-propan-2-yl-5-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol
CID 46308238
2-(1-chloroethyl)-1-(dicyclopropylmethyl)-5-fluoro-6-methylbenzimidazole
CID 103593534
5-chloro-2-[(1S)-1-chloroethyl]-1-propan-2-ylbenzimidazole
CID 93258606

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethyl)-1-(1-cyclopropylethyl)-5-(trifluoromethyl)benzimidazole?
The IUPAC name of 2-(1-chloroethyl)-1-(1-cyclopropylethyl)-5-(trifluoromethyl)benzimidazole (CID 115502219) is 2-(1-chloroethyl)-1-(1-cyclopropylethyl)-5-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 2-(1-chloroethyl)-1-(1-cyclopropylethyl)-5-(trifluoromethyl)benzimidazole?
The canonical SMILES for 2-(1-chloroethyl)-1-(1-cyclopropylethyl)-5-(trifluoromethyl)benzimidazole is CC(Cl)c1nc2cc(C(F)(F)F)ccc2n1C(C)C1CC1.
What is the InChIKey of 2-(1-chloroethyl)-1-(1-cyclopropylethyl)-5-(trifluoromethyl)benzimidazole?
The InChIKey is QHAOOVCHGDNTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClF3N2/c1-8(16)14-20-12-7-11(15(17,18)19)5-6-13(12)21(14)9(2)10-3-4-10/h5-10H,3-4H2,1-2H3.
What are the key properties of 2-(1-chloroethyl)-1-(1-cyclopropylethyl)-5-(trifluoromethyl)benzimidazole?
2-(1-chloroethyl)-1-(1-cyclopropylethyl)-5-(trifluoromethyl)benzimidazole has a molecular weight of 316.75 g/mol, XLogP of 5.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethyl)-1-(1-cyclopropylethyl)-5-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 115502219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).